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Substance Name: 2-Methylpropanenitrile
RN: 78-82-0
UNII: 699AWF2WV2
InChIKey: LRDFRRGEGBBSRN-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-N

Molecular Weight

  • 69.1063
 

Classification Codes

Classification Code

  • Skin / Eye Irritant

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 1000 lb
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Names and Synonyms

Name of Substance

  • 2-Methylpropanenitrile
  • Isobutyronitrile

Synonyms

  • 1-Cyano-1-methylethane
  • 2-Cyanopropane
  • 2-Methylpropane nitrile
  • 2-Methylpropanenitrile
  • 2-Methylpropionitrile
  • 4-02-00-00853 (Beilstein Handbook Reference)
  • AI3-28525
  • alpha-Methylpropanenitrile
  • BRN 1340512
  • CCRIS 9442
  • Dimethylacetonitrile
  • EINECS 201-147-5
  • HSDB 5221
  • Isobutyronitrile
  • Isopropyl cyanide
  • Isopropyl nitrile
  • Isopropylkyanid
  • Isopropylkyanid [Czech]
  • Isopropylnitrile
  • NSC 60536
  • Propanenitrile, 2-methyl-
  • Propanoic acid, 2-methyl-, nitrile
  • UNII-699AWF2WV2

Systematic Names

  • 2-Methylpropanenitrile
  • Isobutyronitrile
  • Propanenitrile, 2-methyl-

Superlist Names

  • Isobutyronitrile
  • Isobutyronitrile [UN2284] [Flammable liquid]
  • Propanenitrile, 2-methyl-
  • UN2284

Registry Numbers

CAS Registry Number

  • 78-82-0

FDA UNII

  • 699AWF2WV2

System Generated Number

  • 0000078820

Structure Descriptors

InChI

1S/C4H7N/c1-4(2)3-5/h4H,1-2H3

InChIKey

LRDFRRGEGBBSRN-UHFFFAOYSA-N

Smiles

C(C#N)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 4800mg/kg (4800mg/kg) BEHAVIORAL: TREMOR

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 LDLo skin 5gm/kg (5000mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4874, 1982.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
mouse LD50 oral 25mg/kg (25mg/kg)   Archives of Toxicology. Vol. 55, Pg. 47, 1984.
rabbit LD50 oral 14mg/kg (14mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rabbit LD50 skin 200mg/kg (200mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rabbit LDLo subcutaneous 9mg/kg (9mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
rat LCLo inhalation 1000ppm/4H (1000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 50mg/kg (50mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4874, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.15E+01 deg C   EXP
Boiling Point 103.9 deg C   EXP
log P (octanol-water) 0.46 (none)   EXP
Water Solubility 5.50E+04 mg/L 25 EST
Vapor Pressure 32.7 mm Hg 25 EXP
Henry's Law Constant 5.39E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.28E-13 cm3/molecule-sec 25 EST

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