Benzoic acid, 4-[(trifluoromethyl)thio]-, ethyl ester

CAS Registry Number®

587-19-9
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CAS Name

Benzoic acid, 4-[(trifluoromethyl)thio]-, ethyl ester

Molecular Formula

C10H9F3O2S

Molecular Mass

250.24

Cite this Page

Benzoic acid, 4-[(trifluoromethyl)thio]-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=587-19-9 (retrieved 2024-08-21) (CAS RN: 587-19-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H9F3O2S/c1-2-15-9(14)7-3-5-8(6-4-7)16-10(11,12)13/h3-6H,2H2,1H3

InChIKey

InChIKey=YRECGHGSGTZAEJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-[(trifluoromethyl)thio]-, ethyl ester
  • Benzoic acid, p-[(trifluoromethyl)thio]-, ethyl ester
  • Ethyl 4-(trifluoromethylthio)benzoate