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Substance Name: Acetonitrile
RN: 75-05-8
UNII: Z072SB282N
InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N

Molecular Formula

  • C2-H3-N

Molecular Weight

  • 41.0527
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (20 ppm); Not classifiable as a human carcinogen, Skin
  • TWA 40 ppm (70 mg/m3)

Names and Synonyms

Name of Substance

  • Acetonitrile

Synonyms

  • Acetonitril
  • Acetonitril [German, Dutch]
  • Acetonitrile
  • AI3-00327
  • CCRIS 1628
  • Cyanomethane
  • Cyanure de methyl
  • Cyanure de methyl [French]
  • EC 200-835-2
  • EINECS 200-835-2
  • Ethanenitrile
  • Ethyl nitrile
  • HSDB 42
  • Methane, cyano-
  • Methanecarbonitrile
  • Methyl cyanide
  • Methylkyanid
  • Methylkyanid [Czech]
  • NCI-C60822
  • NSC 7593
  • RCRA waste number U003
  • UNII-Z072SB282N
  • USAF EK-488

Systematic Name

  • Acetonitrile

Superlist Names

  • Acetonitrile
  • Acetonitrile [UN1648] [Flammable liquid]
  • RCRA waste no. U003
  • UN1648

Registry Numbers

CAS Registry Number

  • 75-05-8

FDA UNII

  • Z072SB282N

Other Registry Number

  • 54841-72-4

System Generated Number

  • 0000075058

Structure Descriptors

InChI

1S/C2H3N/c1-2-3/h1H3

InChIKey

WEVYAHXRMPXWCK-UHFFFAOYSA-N

Smiles

C(C)#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LC50 inhalation 18gm/m3 (18000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
cat LD50 oral 200mg/kg (200mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
child TDLo oral 800mg/kg (800mg/kg) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING
American Journal of Emergency Medicine. Vol. 9, Pg. 268, 1991.
dog LCLo inhalation 16000ppm/4H (16000ppm)   Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
frog LDLo subcutaneous 9100mg/kg (9100mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
guinea pig LC50 inhalation 5655ppm/4H (5655ppm) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BLOOD: HEMORRHAGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
guinea pig LD50 oral 177mg/kg (177mg/kg)   Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
human TCLo inhalation 160ppm/4H (160ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 65, 1969.
mammal (species unspecified) LD50 oral 1670mg/kg (1670mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
man TDLo oral 64mg/kg (64mg/kg) BEHAVIORAL: EXCITEMENT Journal of Toxicology, Clinical Toxicology. Vol. 29, Pg. 447, 1991.
man TDLo oral 571mg/kg (571mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmacologica et Toxicologica, Supplementun. Vol. 41, Pg. 340, 1977.
mouse LC50 inhalation 2693ppm/1H (2693ppm) LIVER: OTHER CHANGES Clinical Toxicology. Vol. 18, Pg. 991, 1981.
mouse LD50 intraperitoneal 175mg/kg (175mg/kg) SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 59, Pg. 589, 1981.
mouse LD50 intravenous 612mg/kg (612mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
mouse LD50 oral 269mg/kg (269mg/kg)   Archives of Toxicology. Vol. 55, Pg. 47, 1984.
mouse LD50 subcutaneous 4480mg/kg (4480mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
rabbit LC50 inhalation 2828ppm/4H (2828ppm) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BLOOD: HEMORRHAGE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
rabbit LD50 oral 50mg/kg (50mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   International Journal of Toxicology. Vol. 19, Pg. 363, 2000.
rabbit LDLo subcutaneous 105mg/kg (105mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 36, Pg. 455, 1929.
rat LC50 inhalation 7551ppm/8H (7551ppm) BLOOD: HEMORRHAGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
rat LD50 intraperitoneal 850mg/kg (850mg/kg)   Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
rat LD50 intravenous 1680mg/kg (1680mg/kg)   Journal of Occupational Medicine. Vol. 1, Pg. 634, 1959.
rat LD50 oral 2460mg/kg (2460mg/kg)   Union Carbide Data Sheet. Vol. 3/18/1965,
rat LD50 parenteral 1100mg/kg (1100mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
rat LD50 subcutaneous 3500mg/kg (3500mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 16, 1982.
women TDLo oral 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

BEHAVIORAL: COMA
Postgraduate Medical Journal. Vol. 73, Pg. 299, 1997.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.38E+01 deg C   EXP
Boiling Point 81.6 deg C   EXP
pKa Dissociation Constant -4.30E+00 (none)   EXP
log P (octanol-water) -0.34 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 88.8 mm Hg 25 EXP
Henry's Law Constant 3.45E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.63E-14 cm3/molecule-sec 25 EXP

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