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Structure

4-[(Difluoromethyl)sulfonyl]benzoic acid

CAS
4837-22-3
Catalog Number
ACM4837223
Category
Other Products
Molecular Weight
236.192
Molecular Formula
C8H6F2O4S

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Specification

Synonyms
ZINC03097863, CID7034747, 4837-22-3
IUPAC Name
4-(difluoromethylsulfonyl)benzoate
Canonical SMILES
C1=CC(=CC=C1C(=O)O)S(=O)(=O)C(F)F
InChI Key
BFPZRESURWVHTN-UHFFFAOYSA-M
Boiling Point
416ºC at 760 mmHg
Flash Point
205.4ºC
Density
1.523g/cm³
Exact Mass
235.99500
H-Bond Acceptor
6
H-Bond Donor
0

Upstream Synthesis Route 1

  • 4837-17-6
  • 4837-22-3

Reference: [1]De Cat,A. et al.
[Bulletin des Societes Chimiques Belges, 1965, vol. 74, p. 270 - 280]

Downstream Synthesis Route 1

  • 4837-22-3
  • 75446-65-0

Reference: [1]Krasovitskii, B. M.; Shershukov, V. M.; Yagupol'skii, L. M.
[Chemistry of Heterocyclic Compounds, 1982, vol. 18, # 8, p. 791 - 795][Khimiya Geterotsiklicheskikh Soedinenii, 1982, vol. 18, # 8, p. 1042 - 1046]

Downstream Synthesis Route 2

  • 4837-22-3
  • 72399-66-7

Reference: [1]Krasovitskii, B. M.; Shershukov, V. M.; Yagupol'skii, L. M.
[Chemistry of Heterocyclic Compounds, 1982, vol. 18, # 8, p. 791 - 795][Khimiya Geterotsiklicheskikh Soedinenii, 1982, vol. 18, # 8, p. 1042 - 1046]

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

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