Benzoic acid, 4-fluoro-2-mercapto-, methyl ester

CAS Registry Number®

81223-44-1

CAS Name

Benzoic acid, 4-fluoro-2-mercapto-, methyl ester

Molecular Formula

C8H7FO2S

Molecular Mass

186.20

Cite this Page

Benzoic acid, 4-fluoro-2-mercapto-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81223-44-1 (retrieved 2024-12-19) (CAS RN: 81223-44-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    145-150 °C @ Press: 15 Torr

  • Melting Point (1)

    45-47 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H7FO2S/c1-11-8(10)6-3-2-5(9)4-7(6)12/h2-4,12H,1H3

InChIKey

InChIKey=CQVRIGKAFSNQHM-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(S)C=C(F)C=C1

Canonical SMILES

O=C(OC)C1=CC=C(F)C=C1S

Other Names for this Substance

  • Benzoic acid, 4-fluoro-2-mercapto-, methyl ester
  • Methyl 4-fluoro-2-mercaptobenzoate
  • Methyl 4-fluoro-2-sulfanylbenzoate

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