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1-chloro-4-nitrobenzene (CAS No. 100-00-5)

IS 4707 Part 2:2025 Annex A lists this ingredient as one that must not form part of a cosmetic product in India.

All India recordsCompare all marketsOpen official source

Regulatory decision and full conditions

Status
Prohibited
Legal role
Binding rule
Regulatory summary
IS 4707 Part 2:2025 Annex A lists this ingredient as one that must not form part of a cosmetic product in India.
Conditions and restrictions
Must not form part of the composition of cosmetic products. Apply the general trace and safety notes published after Annex A.

Substance identity

Official source name
1-chloro-4-nitrobenzene (CAS No. 100-00-5)
CAS
100-00-5
EC
Not supplied in this source row
Identity mapping
standalone:official_bis_record
Search this identity across the siteCAS 100-00-5

Cross-market snapshot for this identity

Exact linked records currently present in this site. An absent market means no imported exact match, not permission to use the substance.

9 market datasets
PubChem 2D chemical structure for CAS 100-00-5
CAS 100-00-5PubChem CID 7474

Verified chemistry for CAS 100-00-5

1-Chloro-4-nitrobenzene

4-Chloronitrobenzene is a C-nitro compound. — ChEBI

IUPAC name
1-chloro-4-nitrobenzene
Molecular formula
C6H4ClNO2
Molecular weight
157.55 g/mol
Exact mass
156.9930561 Da
Monoisotopic mass
156.9930561 Da
XLogP3
2.4
Topological polar surface area
45.8 Ų
Molecular complexity
126.0
Formal charge
0
Hydrogen-bond donors
0
Hydrogen-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Covalent units
1

Names and synonyms reported to PubChem

4-Chloronitrobenzenep-Chloronitrobenzenep-NitrochlorobenzeneBenzene, 1-chloro-4-nitro-4-Nitrochlorobenzene4-Chloro-1-nitrobenzenePNCB1-Nitro-4-chlorobenzene
16 more reported names
4-Nitro-1-chlorobenzenep-Nitrophenyl chloridep-Nitrochlorobenzolp-Nitroclorobenzenep-Nitrochloorbenzeen1-Chlor-4-nitrobenzol1-Cloro-4-nitrobenzene1-Chloor-4-nitrobenzeenCVL66U249DNSC-9792RefChem:75424202-809-61-Chloro-4-nitro-benzeneNSC 9792Nitrobenzene, 4-chloro-p-Nitrochloorbenzeen [Dutch]
Open full PubChem recordSafety and hazards at PubChemPubChem annotationsChemical classifications3D structure image
External database identifiers
Advanced structure statistics
Defined atom stereocentres
0
Undefined atom stereocentres
0
Defined bond stereocentres
0
Undefined bond stereocentres
0
3D pharmacophore features
4
3D rings
1
3D hydrophobes
0
3D acceptor features
2
3D donor features
0
3D anionic centres
1
3D cationic centres
0
3D conformers
1
Effective 3D rotors
1.0
Machine-readable structure identifiers
SMILES
C1=CC(=CC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey
CZGCEKJOLUNIFY-UHFFFAOYSA-N

Evidence from additional scientific databases

EMBL-EBI ChEBI
Exact identifier matchCHEBI:34399

4-Chloronitrobenzene

Formula
C6H4ClNO2
Average mass
157.556 g/mol
Monoisotopic mass
156.99306 Da
Formal charge
0
  • C-nitro compound — is a (CHEBI:35716)
  • C-nitro compound — is a (CHEBI:35716)
Additional curated names
1-Chloro-4-nitrobenzene4-Chloronitrobenzene
Cross-references from this source
  • CAS: 100-00-5 — KEGG COMPOUND
  • MANUAL_X_REF: C14456 — KEGG COMPOUND

Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2014-07-28. Retrieved: 2026-08-31. Open source record

NIH PubChem PUG-View
Exact identifier match7474

Attributed physical-property, hazard, environmental and use annotations.

  • Refractive Index: MAX ABSORPTION (METHANOL): 270.5 NM (LOG E= 4.03); SADTLER REF NUMBER: 4683 (IR, PRISM); 435 (IR, GRATING); INDEX OF REFRACTION: 1.5376 AT 100 °C/ALPHA Source: Hazardous Substances Data Bank (HSDB)
  • First Aid: EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.; SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.; INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) shou Source: CAMEO Chemicals
  • First Aid: (General first aid procedures); Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.; Skin: Soap wash immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water. If this chemical penetrates the clothing, immediately remove the clothing, wash the skin with soap and water, and get medical attention promptly.; Breathing: Respiratory support; Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately. Source: The National Institute for Occupational Safety and Health (NIOSH)
  • Signal: Danger Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
  • GHS Hazard Statements: H301: Toxic if swallowed [Danger Acute toxicity, oral]; H311: Toxic in contact with skin [Danger Acute toxicity, dermal]; H331: Toxic if inhaled [Danger Acute toxicity, inhalation]; H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]; H351: Suspected of causing cancer [Warning Carcinogenicity]; H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]; H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
  • Precautionary Statement Codes: P203, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
  • Signal: Danger Source: European Chemicals Agency (ECHA)
  • GHS Hazard Statements: H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]; H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]; H373 (98.4%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]; H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
  • Precautionary Statement Codes: P203, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
  • ECHA C&L Notifications Summary: Aggregated GHS information provided per 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
  • Signal: Danger Source: NITE-CMC
  • GHS Hazard Statements: H302: Harmful if swallowed [Warning Acute toxicity, oral]; H311: Toxic in contact with skin [Danger Acute toxicity, dermal]; H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]; H350: May cause cancer [Danger Carcinogenicity]; H360: May damage fertility or the unborn child [Danger Reproductive toxicity]; H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]; H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] Source: NITE-CMC
  • Precautionary Statement Codes: P203, P260, P262, P264, P270, P280, P301+P317, P302+P352, P308+P316, P316, P318, P319, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
  • GHS Hazard Statements: H302: Harmful if swallowed [Warning Acute toxicity, oral]; H311: Toxic in contact with skin [Danger Acute toxicity, dermal]; H320: Causes eye irritation [Warning Serious eye damage/eye irritation]; H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]; H351: Suspected of causing cancer [Warning Carcinogenicity]; H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]; H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] Source: NITE-CMC
  • Precautionary Statement Codes: P203, P260, P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P308+P316, P316, P318, P319, P321, P330, P337+P317, P361+P364, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
  • NFPA Health Rating: 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury. Source: Hazardous Substances Data Bank (HSDB)
  • NFPA Fire Rating: 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur. Source: Hazardous Substances Data Bank (HSDB)
  • NFPA Instability Rating: 3 - Materials that in themselves are capable of detonation or explosive decomposition or explosive reaction but that require a strong initiating source or must be heated under confinement before initiation. Source: Hazardous Substances Data Bank (HSDB)
  • Toxicity Summary: 1-Chloro-4-nitrobenzene is rapidly absorbed via skin, gastrointestinal tract or respiratory tract and distributed in the tissue predominantly in fat, blood cells, skeletal muscles, liver and kidney. Most of the substance was excreted with the urine followed by excretion with feces. 1-Chloro-4-nitrobenzene undergoes three major types of transformation in vivo in mammals: nitro-group reduction, displacement of the chloride in glutathione conjugation, and ring hydroxylation. From accidental exposure of workers to 1-chloro-4-nitrophenol, large amounts of 2-chloro-5- nitrophenol, N-acetyl-S-(4-nitrophenyl)-L-cysteine, 4-chloroaniline and 4-chloroformanilide were identified. The oral LD50 for 1-chloro-4-nitrobenzene in male rats is 294 or 694 mg/kg bw and in female rats 565 or 664 mg/kg bw. Cyanotic appearance was the predominant symptom. The ... LC50 level could not be reached up to 16100 mg/cu m during a 4-hrs exposure against vapor and microcrystalline particles. The LD50 (dermal) for male rats is 750 mg/kg bw and for female rats 1722 mg/kg bw; the LD50 for male rabbits is 3550 mg/kg bw and for female rabbits 2510 mg/kg bw after acute dermal application. Cyanotic appearance was the pr Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Bioconcentration: Carp exposed to solutions containing 0.15 ppm 1-chloro-4-nitrobenzene for 8 weeks had BCF values ranging from 5.8-20.9, and carp exposed to solutions containing 0.015 ppm 1-chloro-4-nitrobenzene had BCF values ranging from 7.5-18.1(1). According to a classification scheme(2), these BCF values suggest bioconcentration in aquatic organisms is low(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 310(SRC), determined from a structure estimation method(2), indicates that 1-chloro-4-nitrobenzene is expected to have moderate mobility in soil(SRC). Volatilization of 1-chloro-4-nitrobenzene from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 4.9X10-6 atm-cu m/mole(3). 1-Chloro-4-nitrobenzene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.022 mm Hg at 25 °C(4). Screening tests using activated sludge(5), suggest biodegradation of 1-chloro-4-nitrobenzene proceeds slowly in soil. Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 310(SRC), determined from a structure estimation method(2), indicates that 1-chloro-4-nitrobenzene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 4.9X10-6 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 152 hours and 73 days, respectively(SRC). According to a classification scheme(5), BCF values of 5.8-20.9 measured in fish(6), suggest bioconcentration in aquatic organisms is low(SRC). Screening tests using activated sludge(6), suggest biodegradation of 1-chloro-4-nitrobenzene proceeds slowly in water. Weak absorption of UV light greater than 290 nm by 1-chloro-4-nitrobenzene in methanol indicates potential for photolysis of 1-chloro-4-nitrobenzene in sunlit surface water(7). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-chloro-4-nitrobenzene , which has a vapor pressure of 0.022 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-chloro-4-nitrobenzene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 94 days(SRC), calculated from its rate constant of 1.7X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Weak absorption of UV light greater than 290 nm by 1-chloro-4-nitrobenzene in methanol indicates potential for photolysis by sunlight of 1-chloro-4-nitrobenzene in air(4). Source: Hazardous Substances Data Bank (HSDB)
  • Sources/Uses: Used to manufacture dyes, rubber, and insecticides; [ACGIH] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
  • Uses: p-Chloronitrobenzene is used to manufacture p-nitrophenol, p-nitroaniline, p-aminophenol, phenacetin, acetaminophen, parathion and other agricultural chemicals, rubber chemicals, antioxidants, oil additives and Dapsone (an antimalarial drug). Source: Hazardous Substances Data Bank (HSDB)
  • Uses: CHEM INT FOR ETHYL & METHYL PARATHION, ACETAMINOPHEN, TRICLOCARBAN, A BACTERIOSTAT, RUBBER-PROCESSING CHEMICALS, & OTHER INTS, EG, P-CHLOROANILINE Source: Hazardous Substances Data Bank (HSDB)
  • Uses: Used in the manufacture of dyestuffs and insecticides. Source: Hazardous Substances Data Bank (HSDB)
  • Uses: Intermediate, especially for dyes; manufacture of p-nitrophenol from which parathion is made; agricultural chemicals; rubber chemicals Source: Hazardous Substances Data Bank (HSDB)
  • Uses: 4-Chloronitrobenzene and its derivatives are also used in many synthetic processes. Common chemical intermediates produced from 4-chloronitrobenzene include 4-chloroaniline, 4-nitrophenol, 4-nitroanisole, para-anisidine, 4-nitroaniline, 6-chloro-3-nitrobenzenesulfonic acid, 2,4- dinitrochlorobenzene and 3,4-dichloronitrobenzene. 4,4'-Diaminodiphenyl sulfone (Dapsone), a drug used to treat leprosy, is synthesized from 4-chloronitrobenzene by one of two methods. In addition, condensation of 4-chloronitrobenzene with 2,4-dichlorophenol gives 2,4-dichloro-4'-nitrodiphenyl ether, which is used as a herbicide (nitrofen); 4-chloronitrobenzene can also be reacted with aniline to give 4-nitrodiphenylamine, which on reductive N-alkylation gives important antioxidants for rubber Source: Hazardous Substances Data Bank (HSDB)

Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record

Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.

Additional source coverage and match status
SourceResultChecked
EMBL-EBI ChEBIExact match2026-08-31
NIH PubChem PUG-ViewExact match2026-08-31

A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

Official source and provenance

Registered source
India BIS IS 4707 cosmetic ingredient standards
Source reference
IS 4707 (Part 2):2025 Annex A, entry 1154
Source record ID
annex-a:1154
Source version
IS 4707 (Part 2):2025, fifth revision
Source language
English
Translation status
Original is English
Effective date
2025-08-09
Source updated
2025-08-09
Snapshot checked
2026-08-31 15:30 UTC
Validation method
206 text layers; Annex A 1-1614 and Annex B 1-313 with seven lettered source rows
SHA-256
905dd0326361c53da8a354b948331946951ac3ae27d60d8e2474efb051239603

Registered dataset notes

Dataset coverage
Complete current Part 2:2025 Annex A prohibited and Annex B restricted rows; Parts 1, 3 and 4 remain linked official checks
Authority note
Indian Standards referenced by the cosmetics regulatory framework; use the controlled current editions
Inspect the exact official sourceRegulator guidance

How this record fits the market dataset

1931
current India records
1614
records marked Prohibited
1931
records from this source version
1836
market records with CAS identity

Status distribution

Prohibited: 1614Restricted: 317

Condition text is present on 1931 of 1931 current records. An empty condition field is interpreted according to the record type above; it is never converted into an unrestricted-use claim.

India market context

Complete current Part 2 dataset plus official workflow for Parts 1, 3 and 4

Coverage version: Cosmetics Rules 2020 plus current BIS IS 4707 parts (1:2020, 2:2025, 3:2025, 4:2022)

All 1,614 prohibited Annex A rows and 317 numbered/lettered restricted Annex B rows from IS 4707 Part 2:2025; official checks remain for colourants, preservatives and UV filters in Parts 1, 3 and 4.

Verification checklist

  1. Confirm product class and current Cosmetics Rules/gazette amendments.
  2. Check all applicable parts of IS 4707 by exact identity.
  3. Apply Schedule S/other finished-product standards where relevant.
  4. Verify licence/import registration, labelling and testing requirements.

Official market sources

Verification workflow and record completeness

Before using this result in a compliance decision

  1. Confirm that “1-chloro-4-nitrobenzene (CAS No. 100-00-5)” and every CAS/EC identifier refer to the material in your supplier specification.
  2. Confirm product class and current Cosmetics Rules/gazette amendments.
  3. Check all applicable parts of IS 4707 by exact identity.
  4. Apply Schedule S/other finished-product standards where relevant.
  5. Verify licence/import registration, labelling and testing requirements.
  6. Document the source version and recheck the regulator before manufacture, notification or market placement.

Fields available in this record

  • Official substance nameAvailable
  • CASAvailable
  • ECNot supplied
  • Separate condition textAvailable
  • Effective dateAvailable
  • Snapshot hash and methodAvailable

Questions this page answers

This official record identifies the substance as prohibited for cosmetic use in the stated market scope. Do not rely on a formulation containing this identity until the cited source, effective date and exact substance match have been verified.

A prohibition entry may contain no separate condition text because the regulatory outcome is the prohibition itself. The standards are separate controlled publications; absence from a locally indexed excerpt is not permission.

The record cites IS 4707 (Part 2):2025 Annex A, entry 1154, source version IS 4707 (Part 2):2025, fifth revision. Open the official source.

No. CAS helps resolve identity, but jurisdictions can classify the same substance differently and can apply different product scopes, limits, warnings and transition dates.

Stable citation

1-chloro-4-nitrobenzene (CAS No. 100-00-5). IS 4707 (Part 2):2025 Annex A, entry 1154. India. Source version IS 4707 (Part 2):2025, fifth revision. CosIng Checker regulatory record: https://cosingchecker.com/regulations/in/records/15748/

Cite the regulator as the legal authority. This page is a structured evidence index and verification aid, not a substitute for the official text or professional legal assessment.

Interpretation and limits for India

This official record identifies the substance as prohibited for cosmetic use in the stated market scope.

Do not rely on a formulation containing this identity until the cited source, effective date and exact substance match have been verified.

How to interpret the legal role

The cited row forms part of a binding rule or legally incorporated list for this market.

Evidence on this page

  • Recorded outcome: Prohibited
  • Legal role: Binding rule
  • Source version: IS 4707 (Part 2):2025, fifth revision
  • Effective date: 2025-08-09

What it does not prove

The standards are separate controlled publications; absence from a locally indexed excerpt is not permission.

Further authoritative substance research

These sources can add identity, safety, exposure or hazard context. A link is not evidence that the database contains this exact substance, and none of these sources overrides the market decision above.

Cosmetic Ingredient Review safety assessments

Expert Panel conclusions, assessed ingredient groups, use conditions, dates and report documents

Independent expert review considered by FDA; not a government approval or binding market rule

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FDA Global Substance Registration System

UNII identifiers, preferred names, substance types, codes and public substance relationships

Identity registry only; UNII availability does not imply FDA review or approval

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ILO/WHO International Chemical Safety Cards

Hazards, symptoms, first aid, storage, incompatibilities and physical properties for covered chemicals

International occupational chemical-safety reference; not cosmetic-use approval

Research this identity at the source

Japan NITE-CHRIP

Chemical identity, Japanese and foreign legal lists, GHS hazards and exposure-related information

Chemical-management evidence; cosmetic status remains governed by the applicable MHLW standard and market rules

Research this identity at the source

NIOSH Pocket Guide to Chemical Hazards

REL, PEL, IDLH, properties, exposure routes, symptoms, target organs, first aid and measurement methods for covered workplace chemicals

US occupational-health guidance and limits; not a cosmetic ingredient decision

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OECD eChemPortal

Gateway to authority-owned physical-property, fate, ecotoxicity, toxicity, exposure and GHS records

Discovery gateway; each linked authority remains responsible for its data

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US EPA CompTox CTX APIs

API key required for import

DTXSID identity, experimental and predicted properties, toxicity, bioactivity, exposure and environmental data

Scientific and computational evidence; predictions must remain labelled and do not determine cosmetic legality

Research this identity at the source