Structure

4-Choro-2(3H)-Benzothiazolone

CAS
39205-62-4
Catalog Number
ACM39205624
Category
Other Products
Molecular Weight
185.63
Molecular Formula
C7H4ClNOS

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  • Case Study
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  • Synthetic Use
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Specification

Synonyms
2-HYDROXY-4-CHLORO BENZOTHIOZOLE;4-CHLOROBENZOTHIAZOLONE;4-choro-2(3h)-benzothiazolone;4-chlorobenzothiazol-2(3H)-one;4-Chloro-2(3H)-benzothiazolone;2(3H)-Benzothiazolone,4-chloro-(9CI);4-CHARO-2(3H)BENZOTHIAZOLONE;Hydroxy chloro benzothiozole
IUPAC Name
4-chloro-3H-1,3-benzothiazol-2-one
SMILES
C1=CC2=C(C(=C1)Cl)NC(=O)S2
InChI Key
MBFOZAKOORJAMK-UHFFFAOYSA-N
Melting Point
204-205℃
EC Number
254-354-8
Exact Mass
184.97000
H-Bond Acceptor
1
H-Bond Donor
1

Upstream Synthesis Route 1

  • 1373399-29-1
  • 39205-62-4

Reference: [1] Tetrahedron Letters, 2012, vol. 53, # 20, p. 2511 - 2513

Upstream Synthesis Route 2

  • 73443-77-3
  • 107-06-2
  • 39205-62-4

Reference: [1] Patent: US4353919, 1982, A,

Upstream Synthesis Route 3

  • 3622-40-0
  • 39205-62-4

Reference: [1] Journal of Organic Chemistry, 1953, vol. 18, p. 1092,1099

Upstream Synthesis Route 4

  • 1849-65-6
  • 39205-62-4

Reference: [1]Patent: US2108172,1934,

Upstream Synthesis Route 5

  • 3622-40-0
  • 39205-62-4

Reference: [1]Journal of Organic Chemistry,1953,vol. 18,p. 1092,1099

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