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Substance Name: Benzyl cyanide
RN: 140-29-4
UNII: 23G40PRP93
InChIKey: SUSQOBVLVYHIEX-UHFFFAOYSA-N

Note

  • Reversible monoamine oxidase inhibitor.

Molecular Formula

  • C8-H7-N

Molecular Weight

  • 117.15
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 500 lb
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Names and Synonyms

Name of Substance

  • Benzyl cyanide

Synonyms

  • (Cyanomethyl)benzene
  • 2-Phenylacetonitrile
  • Acetic acid, phenyl-nitrile
  • Acetonitrile, phenyl-
  • AI3-04975
  • alpha-Cyanotoluene
  • alpha-Tolunitrile
  • Benzeneacetonitrile
  • Benzyl cyanide
  • Benzyl nitrile
  • Benzylkyanid
  • Benzylkyanid [Czech]
  • Benzylnitrile
  • CCRIS 4698
  • EC 205-410-5
  • EINECS 205-410-5
  • HSDB 2103
  • NSC 118418
  • Phenyl acetyl nitrile
  • Phenylacetonitrile
  • Toluene, alpha-cyano-
  • UNII-23G40PRP93
  • USAF KF-21

Systematic Names

  • Acetonitrile, phenyl-
  • Benzeneacetonitrile
  • Phenylacetonitrile

Superlist Names

  • Benzeneacetonitrile
  • Benzyl cyanide
  • Phenylacetonitrile
  • Phenylacetonitrile, liquid
  • Phenylacetonitrile, liquid [UN2470] [Poison]
  • UN2470

Registry Numbers

CAS Registry Number

  • 140-29-4

FDA UNII

  • 23G40PRP93

System Generated Number

  • 0000140294

Structure Descriptors

InChI

1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

InChIKey

SUSQOBVLVYHIEX-UHFFFAOYSA-N

Smiles

c1(ccccc1)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 1100mg/kg (1100mg/kg) BEHAVIORAL: ATAXIA

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

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
guinea pig LD50 oral 10mg/kg (10mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: GENERAL ANESTHETIC
National Technical Information Service. Vol. OTS0570995,
guinea pig LDLo skin 5mL/kg (5mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0570995,
mouse LC50 inhalation 100mg/m3/2H (100mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982.
mouse LD50 intraperitoneal 10mg/kg (10mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 45500ug/kg (45.5mg/kg)   Archives of Toxicology. Vol. 55, Pg. 47, 1984.
mouse LDLo subcutaneous 32mg/kg (32mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 447, 1904.
pigeon LDLo intramuscular 120mg/kg (120mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 803, 1982.
rabbit LD50 skin 270mg/kg (270mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 803, 1982.
rabbit LDLo subcutaneous 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
rat LC50 inhalation 430mg/m3/2H (430mg/m3) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Hygiene and Sanitation Vol. 32(7-9), Pg. 176, 1967.
rat LD50 oral 270mg/kg (270mg/kg) LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(8), Pg. 20, 1967.
rat LD50 skin 2gm/kg (2000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 803, 1982.
rat LDLo intraperitoneal 74982ug/kg (74.982mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: EXCITEMENT
Toxicology Letters. Vol. 10, Pg. 265, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.38E+01 deg C   EXP
Boiling Point 233.5 deg C   EXP
log P (octanol-water) 1.56 (none)   EXP
Water Solubility 100 mg/L 25 EXP
Henry's Law Constant 2.47E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.07E-12 cm3/molecule-sec 25 EST

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