Structural Formula Vector Image
Title: Valeronitrile
CAS Registry Number: 110-59-8
CAS Name: Pentanenitrile
Additional Names: 1-butyl cyanide; 1-cyanobutane
Molecular Formula: C5H9N
Molecular Weight: 83.13
Percent Composition: C 72.24%, H 10.91%, N 16.85%
Line Formula: CH3(CH2)3CN
Literature References: Prepn: A. Lieben, A. Rossi, Ann. 158, 137 (1871); W. Kantlehner et al., ibid. 1980, 389; H. G. Thomas, H. D. Greyn, Synthesis 1990, 129. Acute toxicity and metabolism: H. Tanii, K. Hashimoto, Arch. Toxicol. 55, 47 (1984). Comparative toxicity of aliphatic nitriles: M. A. Wallig et al., Food Chem. Toxicol. 26, 149 (1988).
Properties: bp15 45-47°. bp739.3 140.4°. bp 141°. d0 0.8164. nD20 1.3962. Log P (n-octanol/water): 0.94. LD50 orally in male mice: 2.297 mmol/kg (Tanii).
Boiling point: bp15 45-47°; bp739.3 140.4°; bp 141°
Index of refraction: nD20 1.3962
Log P: Log P (n-octanol/water): 0.94
Density: d0 0.8164
Toxicity data: LD50 orally in male mice: 2.297 mmol/kg (Tanii)
Use: Solvent.

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