Benzoic acid, 2,4,6-trifluoro-, methyl ester

CAS Registry Number®

79538-28-6
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CAS Name

Benzoic acid, 2,4,6-trifluoro-, methyl ester

Molecular Formula

C8H5F3O2

Molecular Mass

190.12

Cite this Page

Benzoic acid, 2,4,6-trifluoro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79538-28-6 (retrieved 2024-08-18) (CAS RN: 79538-28-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    105-110 °C @ Press: 15 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5F3O2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3

InChIKey

InChIKey=RDAIRQLEVUNMTA-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(F)C=C(F)C=C1F

Canonical SMILES

O=C(OC)C=1C(F)=CC(F)=CC1F

Other Names for this Substance

  • Benzoic acid, 2,4,6-trifluoro-, methyl ester
  • Methyl 2,4,6-trifluorobenzoate
  • 2,4,6-Trifluorobenzoic acid methyl ester