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CAS 100-47-0

CAS 100-47-0 matches 0 EU annex records across Annex II–VI of Regulation 1223/2009.

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Chemical identity and properties

PubChem 2D chemical structure for CAS 100-47-0
CAS 100-47-0PubChem CID 7505

Benzonitrile

Benzonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. It is a nitrile and a member of benzenes. — ChEBI

IUPAC name
benzonitrile
Molecular formula
C7H5N
Molecular weight
103.12 g/mol
Exact mass
103.042199164 Da
XLogP3
1.6
Topological polar surface area
23.8 Ų
Hydrogen-bond donors
0
Hydrogen-bond acceptors
1
Covalent units
1
Defined stereocentres
0

Also known as

Phenyl cyanideCyanobenzeneBenzenenitrileBenzoic acid nitrileBenzene, cyano-BenzenecarbonitrilePhenylcyanideFenylkyanid
16 more reported names
9V9APP5H5SC6H5-CNNSC-8039CHEBI:27991RefChem:5590benzonitrile;phenyl cyanide202-855-7Fenylkyanid [Czech]NSC 8039UN2224AI3-24184Benzonitrile [UN2224] [Poison]4-cyanobenzeneCAS-100-47-0HSDB 45CCRIS 3184
Open full PubChem recordPubChem annotations3D structure image
External database identifiers

Evidence from additional scientific databases

EMBL-EBI ChEBI
Exact identifier matchCHEBI:27991

benzonitrile

A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.

Formula
C7H5N
Average mass
103.124 g/mol
Monoisotopic mass
103.04220 Da
Formal charge
0
  • nitrile — is a (CHEBI:18379)
  • benzenes — is a (CHEBI:22712)
  • nitrile — is a (CHEBI:18379)
  • benzenes — is a (CHEBI:22712)
Additional curated names
benzonitrilephenyl cyanidebenzenenitrilebenzoic acid nitrileBenzonitrileC6H5-CNCyanobenzenePhenyl cyanide
Cross-references from this source
  • CAS: 100-47-0 — KEGG COMPOUND
  • CAS: 100-47-0 — ChemIDplus
  • CAS: 100-47-0 — NIST Chemistry WebBook
  • REGISTRY_NUMBER: 2653 — Gmelin
  • REGISTRY_NUMBER: 506893 — Beilstein
  • MANUAL_X_REF: Benzonitrile — Wikipedia
  • MANUAL_X_REF: c0367 — UM-BBD
  • MANUAL_X_REF: C09814 — KEGG COMPOUND
  • MANUAL_X_REF: C09814 — KEGG COMPOUND
  • MANUAL_X_REF: CPD-15582 — MetaCyc

Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2025-06-24. Retrieved: 2026-08-31. Open source record

NIH PubChem PUG-View
Exact identifier match7505

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

  • 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
  • ERG2024, Guide 152 (Benzonitrile): General First Aid:; · Call 911 or emergency medical service.; · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.; · Move victim to fresh air if it can be done safely.; · Administer oxygen if breathing is difficult.; · If victim is not breathing:; -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.; -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).; -- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.; · Remove and isolate contaminated clothing and shoes.; · For minor skin contact, avoid spreading material on unaffected skin.; · In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.; · For severe burns, immediate medical attention is required.; · Effects of exposure (inhalation, ingestion, Source: Emergency Response Guidebook (ERG)
  • Signal: Warning Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
  • GHS Hazard Statements: H302: Harmful if swallowed [Warning Acute toxicity, oral]; H312: Harmful in contact with skin [Warning Acute toxicity, dermal] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
  • Precautionary Statement Codes: P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
  • Note: This chemical does not meet GHS hazard criteria for 1.9% (11 of 575) of reports. Source: European Chemicals Agency (ECHA)
  • Signal: Warning Source: European Chemicals Agency (ECHA)
  • GHS Hazard Statements: H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (98.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] Source: European Chemicals Agency (ECHA)
  • Precautionary Statement Codes: P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, 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 575 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 11 of 575 reports by companies.; There are 5 notifications provided by 564 of 575 reports by companies with hazard statement code(s).; 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: H227: Combustible liquid [Warning Flammable liquids]; H302: Harmful if swallowed [Warning Acute toxicity, oral]; H312: Harmful in contact with skin [Warning Acute toxicity, dermal]; H331: Toxic if inhaled [Danger Acute toxicity, inhalation]; H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]; H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] Source: NITE-CMC
  • Precautionary Statement Codes: P210, P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P308+P316, P316, P317, P319, P321, P330, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
  • GHS Hazard Statements: H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard] Source: NITE-CMC
  • Health Effects: Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97) Source: Toxin and Toxin Target Database (T3DB)
  • Toxicity Summary: IDENTIFICATION AND USE: Benzonitrile is a colorless liquid. It is used as intermediate for rubber chemicals; solvent for nitrile rubber, specialty lacquers, and many resins and polymers, and for many anhydrous metallic salts. HUMAN EXPOSURE AND TOXICITY: Benzonitrile was tested at a concentration of 2% in petrolatum on 27 volunteers in a mixed panel, and was found to produce no sensitization reactions after 48 hr close patch test. Extensive reddening and blister formation resulted from accidental exposure of human skin to benzonitrile. Following an occupational accident in which a worker's head and clothing were drenched with benzonitrile, the worker suffered severe respiratory distress and tonic convulsions between periods of unconsciousness which lasted for 75 min. Thereafter he gradually recovered, but several years later he experienced episodes of unconsciousness which might have been related to the benzonitrile exposure. ANIMAL STUDIES: CNS depression signs and changes in blood cholinesterase activity were observed in rats and mice in an inhalation study with benzonitrile. Indication of cumulative effects of benzonitrile were reported. Toxic signs included sluggishness, unstea Source: Hazardous Substances Data Bank (HSDB)
  • Toxicity Summary: Organic nitriles decompose into cyanide ions both in vivo and in vitro. Consequently the primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97) Source: Toxin and Toxin Target Database (T3DB)
  • Environmental Bioconcentration: An estimated BCF of 5 was calculated in fish for benzonitrile(SRC), using a measured log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for 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 150(SRC), determined from a log Kow of 1.56(2) and a regression-derived equation(3), indicates that benzonitrile is expected to have moderate mobility in soil(SRC). Volatilization of benzonitrile from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.21X10-5 atm-cu m/mole (SRC), derived from its vapor pressure, 0.768 mm Hg(4), and water solubility of 2000 mg/L(5). Benzonitrile is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Benzonitrile achieved 88% degradation after 8, 10, and 12.5 hours in char-amended soil, soil and washed-char-amended soil slurries, respectively(6), indicating that biodegradation may be an important environmental fate process in soil(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 150(SRC), determined from a log Kow of 1.56(2) and a regression-derived equation(3), indicates that benzonitrile is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon an estimated Henry's Law constant of 5.21X10-5 atm-cu m/mole(SRC), derived from its vapor pressure, 0.768 mm Hg(5), and water solubility of 2000 mg/L(6). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 20 and 9 days, respectively(SRC). According to a classification scheme(7), an estimated BCF of 5(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Utilizing the Japanese MITI test, 63% of the Theoretical BOD was reached in 2 weeks(8) indicating that biodegradation is an important environmental fate process in water(SRC). 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), benzonitrile, which has a measured vapor pressure of 0.768 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase benzonitrile 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 31 days(SRC), calculated from its rate constant of 3.30X10-13 cu cm/molecule-sec at 25 °C(3). Benzonitrile absorbs light at wavelengths >290 nm(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC). 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.

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