Butyl Isocyanate
Structural Formula Vector Image
Title: Butyl Isocyanate
CAS Registry Number: 111-36-4
CAS Name: 1-Isocyanatobutane
Additional Names: isocyanic acid butyl ester; n-butyl isocyanate; BIC
Molecular Formula: C5H9NO
Molecular Weight: 99.13
Percent Composition: C 60.58%, H 9.15%, N 14.13%, O 16.14%
Line Formula: CH3(CH2)3N=C=O
Literature References: Prepn: R. J. Slocombe et al., J. Am. Chem. Soc. 72, 1888 (1950); T. I. Bieber, ibid. 74, 4700 (1952); E. T. Shawl et al., EP 408277 (1991 to Arco). Toxicity study: J. Pauluhn, A. Eben, Arch. Toxicol. 66, 118 (1992). Analytical methods development: R. J. Rando et al., J. Liq. Chromatogr. 16, 3977 (1993).
Properties: Flammable liquid. bp 113-116°. nD20 1.4060. d420 0.880. LC50 (4hr) in male, female rats (mg/m3): 60, 55 by inhalation (Pauluhn, Eben).
Boiling point: bp 113-116°
Index of refraction: nD20 1.4060
Density: d420 0.880
Toxicity data: LC50 (4hr) in male, female rats (mg/m3): 60, 55 by inhalation (Pauluhn, Eben)
Use: Reagent in organic synthesis.

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