Structure

2-Bromo-1,3-benzothiazole

CAS
2516-40-7
Catalog Number
ACM2516407
Category
Other Products
Molecular Weight
214.08
Molecular Formula
C7H4BrNS

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Specification

Synonyms
2-Bromobenzothiazole, 2-Bromo-1,3-benzothiazole, benzothiazole, 2-bromo-, ZINC00158626, CC 06010, TL8002046, InChI=1/C7H4BrNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4, 2516-40-7
IUPAC Name
2-bromo-1,3-benzothiazole
SMILES
C1=CC=C2C(=C1)N=C(S2)Br
InChI Key
DRLMMVPCYXFPEP-UHFFFAOYSA-N
Boiling Point
293.7ºC at 760 mmHg
Melting Point
40-42ºC
Flash Point
131.4ºC
Density
1.748 g/cm³
Appearance
white or red solid powder
Exact Mass
212.92500
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
S26-S36/37/39

Upstream Synthesis Route 1

  • 1072-98-6
  • 40473-01-6
  • 2516-40-7

Reference: [1] Patent: US4510148, 1985, A,

Upstream Synthesis Route 2

  • 95-16-9
  • 2516-40-7

Reference: [1] Organic and Biomolecular Chemistry, 2018, vol. 16, # 6, p. 886 - 890

Upstream Synthesis Route 3

  • 136-95-8
  • 2516-40-7

Reference: [1] Chemistry - A European Journal, 2018, vol. 24, # 55, p. 14622 - 14626

Downstream Synthesis Route 1

  • 2516-40-7
  • 16900-79-1
  • 117635-49-1

Reference: [1]Synthesis,1988,p. 375 - 377

Downstream Synthesis Route 2

  • 916599-66-1
  • 2516-40-7
  • 854472-57-4

Reference: [1]Helvetica Chimica Acta,2006,vol. 89,p. 1856 - 1887

Downstream Synthesis Route 3

  • 2516-40-7
  • 854472-58-5

Reference: [1]Helvetica Chimica Acta,2006,vol. 89,p. 1856 - 1887

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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