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CAS No 95-16-9 , 1,3-benzothiazole

  • Name: 1,3-benzothiazole
  • Synonyms: USAF EK-4812;1,3-benzothiazole; 1-Thia-3-azaindene;1,3-Benzothiazole; BENZO[D]THIAZOLE; benzothiazol; Vangard BT; Benzosulfonazole; 95-16-9;
  • CAS Registry Number:
  • Transport: 2810
  • Melting Point: 2 ºC
  • Flash Point: 96.6°C
  • Boiling Point: 231 ºC
  • Density: 1.238
  • Refractive index: 1.641-1.644
  • Safety Statements: R20/21/22
  • Hazard Symbols: Xn: Harmful;
  • HS Code: 29342080
  • Flash Point: 96.6°C
  • EINECS: 202-396-2
  • Molecular Weight: 135.1863
  • InchiKey: IOJUPLGTWVMSFF-UHFFFAOYSA-N
  • InChI: InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
  • Risk Statements: S36/37
  • Molecular Formula: C7H5NS
  • Molecular Structure:CAS No:95-16-9 1,3-benzothiazole

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References of 1,3-benzothiazole
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.