Benzoic acid, 3-(trifluoromethyl)-, ethyl ester

CAS Registry Number®

76783-59-0
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CAS Name

Benzoic acid, 3-(trifluoromethyl)-, ethyl ester

Molecular Formula

C10H9F3O2

Molecular Mass

218.17

Cite this Page

Benzoic acid, 3-(trifluoromethyl)-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76783-59-0 (retrieved 2024-09-07) (CAS RN: 76783-59-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    28-29 °C @ Press: 0.19 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H9F3O2/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,2H2,1H3

InChIKey

InChIKey=MHNBTKIAHHECCQ-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC(C(F)(F)F)=CC=C1

Canonical SMILES

O=C(OCC)C1=CC=CC(=C1)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 3-(trifluoromethyl)-, ethyl ester
  • Ethyl 3-(trifluoromethyl)benzoate
  • Ethyl m-(trifluoromethyl)benzoate
  • 3-(Trifluoromethyl)benzoic acid ethyl ester