Structural Formula Vector Image
Title: Benzothiazole
CAS Registry Number: 95-16-9
Molecular Formula: C7H5NS
Molecular Weight: 135.19
Percent Composition: C 62.19%, H 3.73%, N 10.36%, S 23.72%
Literature References: Prepd from N,N-dimethylaniline and sulfur: Knowles, Watt, J. Org. Chem. 7, 56 (1942). Chemistry of benzothiazoles, their use as carbonyl equivalents and in carbon-carbon bond formation: E. J. Corey, D. L. Boger, Tetrahedron Lett. 1978, 5, 9, 13. Toxicity study: E. F. Domino et al., J. Pharmacol. Exp. Ther. 105, 486 (1952).
Properties: Liquid. Odor similar to that of quinoline. Volatile with steam. d420 1.246. bp765 227-228°; bp34 131°. nD20 1.6379. Slightly sol in water. Freely sol in alcohol, carbon disulfide. LD50 i.v. in mice: 95±3 mg/kg (Domino).
Boiling point: bp765 227-228°; bp34 131°
Index of refraction: nD20 1.6379
Density: d420 1.246
Toxicity data: LD50 i.v. in mice: 95±3 mg/kg (Domino)
Use: In organic synthesis.

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