Benzoic acid, 3-(chlorosulfonyl)-, methyl ester

CAS Registry Number®

63555-50-0
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CAS Name

Benzoic acid, 3-(chlorosulfonyl)-, methyl ester

Molecular Formula

C8H7ClO4S

Molecular Mass

234.66

Cite this Page

Benzoic acid, 3-(chlorosulfonyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=63555-50-0 (retrieved 2024-04-29) (CAS RN: 63555-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    64-66 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7ClO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3

InChIKey

InChIKey=SQIBNKUEUWGZBH-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(S(Cl)(=O)=O)=CC=C1

Canonical SMILES

O=C(OC)C1=CC=CC(=C1)S(=O)(=O)Cl

Other Names for this Substance

  • Benzoic acid, 3-(chlorosulfonyl)-, methyl ester
  • Methyl benzoate-3-sulfonyl chloride
  • Methyl 3-(chlorosulfonyl)benzoate
  • 3-(Methoxycarbonyl)benzenesulfonyl chloride
  • 3-Methoxycarbonylphenylsulfonyl chloride

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