4-[(Trifluoromethyl)thio]benzoic acid
CAS Registry Number®
330-17-6
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CAS Name
4-[(Trifluoromethyl)thio]benzoic acidMolecular Formula
C8H5F3O2SMolecular Mass
222.18Cite this Page
4-[(Trifluoromethyl)thio]benzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=330-17-6 (retrieved ) (CAS RN: 330-17-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
160-161 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey
InChIKey=UMOGQQWVQUQTQA-UHFFFAOYSA-N
SMILES
S(C(F)(F)F)C1=CC=C(C(O)=O)C=C1
Canonical SMILES
O=C(O)C1=CC=C(SC(F)(F)F)C=C1
Other Names for this Substance
- Benzoic acid, 4-[(trifluoromethyl)thio]-
- Benzoic acid, p-[(trifluoromethyl)thio]-
- 4-[(Trifluoromethyl)thio]benzoic acid
- 4-Trifluoromethylsulfanylbenzoic acid
