Title: Allyl Cyanide
CAS Registry Number: 109-75-1
CAS Name: 3-Butenenitrile
Additional Names: vinylacetonitrile; b-butenonitrile
Molecular Formula: C4H5N
Molecular Weight: 67.09
Percent Composition: C 71.61%, H 7.51%, N 20.88%
Line Formula: CH2=CHCH2CN
Literature References: Found in some mustard oils. Prepd by treating dry CuCN with allyl bromide: Bruylants, Bull. Soc. Chim. Belg. 31, 175 (1922); Supniewski, Salzberg, Org. Synth. coll. vol. I, 46 (2nd ed., 1941). Toxicity study: H. F. Smyth et al., Am. Ind. Hyg. Assoc. J. 30, 470 (1969).
Properties: Liquid. Agreeable onion-like odor. Stable to heat. d420 0.8341. mp -87°. bp760 119°; bp400 98°; bp200 78°; bp100 60.2°; bp60 48.8°; bp40 40.0°; bp20 26.6°; bp10 14.1°; bp5 2.9°; bp1.0 -19.6°. nD20 1.4060. Absorption spectrum in hexane, water and dil alkali: Bruylants, Castille, op. cit. 34, 265; Chem. Zentralbl. 1926, I, 1962. LD50 orally in rats: 0.115 g/kg (Smyth).
Melting point: mp -87°
Boiling point: bp760 119°; bp400 98°; bp200 78°; bp100 60.2°; bp60 48.8°; bp40 40.0°; bp20 26.6°; bp10 14.1°; bp5 2.9°; bp1.0 -19.6°
Index of refraction: nD20 1.4060
Density: d420 0.8341
Toxicity data: LD50 orally in rats: 0.115 g/kg (Smyth) |