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Substance Name: Benzonitrile
RN: 100-47-0
UNII: 9V9APP5H5S
InChIKey: JFDZBHWFFUWGJE-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-N

Molecular Weight

  • 103.123
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Code

  • Reportable Quantity (RQ) = 5000 lb
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Names and Synonyms

Name of Substance

  • Benzonitrile

Synonyms

  • AI3-24184
  • Benzene, cyano-
  • Benzenecarbonitrile
  • Benzenenitrile
  • Benzoic acid nitrile
  • Benzonitrile
  • CCRIS 3184
  • Cyanobenzene
  • EC 202-855-7
  • EINECS 202-855-7
  • Fenylkyanid
  • Fenylkyanid [Czech]
  • HSDB 45
  • NSC 8039
  • Phenyl cyanide
  • Phenylcyanide
  • UNII-9V9APP5H5S

Systematic Name

  • Benzonitrile

Superlist Names

  • Benzonitrile
  • Benzonitrile [UN2224] [Poison]
  • UN2224

Registry Numbers

CAS Registry Number

  • 100-47-0

FDA UNII

  • 9V9APP5H5S

System Generated Number

  • 0000100470

Structure Descriptors

InChI

1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H

InChIKey

JFDZBHWFFUWGJE-UHFFFAOYSA-N

Smiles

c1(ccccc1)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.
frog LDLo subcutaneous 1700mg/kg (1700mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

CARDIAC: OTHER CHANGES
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
mammal (species unspecified) LD50 oral 800mg/kg (800mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mouse LC50 inhalation 1800mg/m3 (1800mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(6), Pg. 34, 1977.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.
mouse LD50 oral 971mg/kg (971mg/kg)   Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984.
pigeon LDLo subcutaneous 500mg/kg (500mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.
rabbit LD50 intraperitoneal 1250mg/kg (1250mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.
rabbit LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.
rabbit LD50 skin 1250mg/kg (1250mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979.
rabbit LDLo subcutaneous 200mg/kg (200mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
rat LCLo inhalation 950ppm/8H (950ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974,
rat LD50 intraperitoneal 740mg/kg (740mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BEHAVIORAL: MUSCLE WEAKNESS

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.
rat LD50 skin 1200mg/kg (1200mg/kg)   Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974,
rat LDLo oral 720mg/kg (720mg/kg)   Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.27E+01 deg C   EXP
Boiling Point 191.1 deg C   EXP
log P (octanol-water) 1.56 (none)   EXP
Water Solubility 2000 mg/L 25 EXP
Vapor Pressure 0.768 mm Hg 25 EXP
Henry's Law Constant 5.21E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.30E-13 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.