Structural Formula Vector Image
Title: Isobutyronitrile
CAS Registry Number: 78-82-0
CAS Name: 2-Methylpropanenitrile
Additional Names: isopropyl cyanide; 2-cyanopropane
Molecular Formula: C4H7N
Molecular Weight: 69.11
Percent Composition: C 69.52%, H 10.21%, N 20.27%
Line Formula: (CH3)2CHCN
Literature References: Prepn: E. A. Letts, Ber. 5, 669 (1872); A. E. Arbusow, ibid. 43, 2296 (1910); R. E. Kent et al., Org. Synth. coll. vol. III, 493 (1955); A. Ahmad, Synthesis 1976, 418. Acute toxicity and human industrial experience: H. Zeller et al., Zentralbl. Arbeitsmed. Arbeitsschutz 19, 225 (1969), C.A. 71, 128340 (1969). Acute toxicity and metabolism: H. Tanii, K. Hashimoto, Arch. Toxicol. 55, 47 (1984).
Properties: Colorless liquid. bp740 99-102°. bp 101-103° (Kent); also reported as bp 103-103.5° (Arbusow), bp 104° (Ahmad), bp 107-108° (Letts). d016.25 0.7731. nD25 1.3713. Log P (n-octanol/water): 0.46. LD50 (mg/kg): 25 i.p. in mice; 200 orally in rats (Zeller). LD50 orally in male mice: 0.3652 mmol/kg (Tanii).
Boiling point: bp740 99-102°; bp 101-103° (Kent); bp 103-103.5° (Arbusow); bp 104° (Ahmad); bp 107-108° (Letts)
Index of refraction: nD25 1.3713
Log P: Log P (n-octanol/water): 0.46
Density: d016.25 0.7731
Toxicity data: LD50 (mg/kg): 25 i.p. in mice; 200 orally in rats (Zeller); LD50 orally in male mice: 0.3652 mmol/kg (Tanii)
CAUTION: Potential symptoms of overexposure are irritation of eyes, skin, nose, throat; headache, dizziness, weakness, giddiness, confusion, convulsions; dyspnea; abdominal pain, nausea, vomiting. See NIOSH Pocket Guide to Chemical Hazards (DHHS/NIOSH 97-140, 1997) p 178.
Use: Solvent.

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