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CAS 1 record

CAS 100-00-5

CAS 100-00-5 matches 1 EU annex record across Annex II–VI of Regulation 1223/2009.

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Chemical identity and properties

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

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
XLogP3
2.4
Topological polar surface area
45.8 Ų
Hydrogen-bond donors
0
Hydrogen-bond acceptors
2
Covalent units
1
Defined stereocentres
0

Also known as

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 recordPubChem annotations3D structure image
External database identifiers

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.

Records for CAS 100-00-5

1 total

How CAS 100-00-5 is used on this site

CAS 100-00-5 is the Chemical Abstracts Service identifier used to pin this page to a specific substance. In the current dataset, 1 EU annex record shares this identifier, which helps you cross-check whether the same substance appears under one regulatory context or several.

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A substance identified by CAS 100-00-5 may appear in multiple EU cosmetic regulation annexes when it is subject to different conditions in different contexts. For example, a substance might be restricted under Annex III with specific conditions, and the same CAS might also appear in Annex IV as an approved colorant under separate entry conditions. Each entry must be reviewed individually.

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