| CAS Number: 330-17-6 4-((trifluoromethyl)thio)benzoic acid |
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| General Information | ||||||||
| Product Number: 330176
CAS Registry Number:
330-17-6
Name:
Benzoic acid, 4-[(trifluoromethyl)thio]-
Benzoic acid, p-[(trifluoromethyl)thio]- (6CI,7CI,8CI); 4-(Trifluoromethylthio)benzoic acid; 4-Trifluoromethylsulfanylbenzoic acid
Chemical Formula: C8H5F3O2S
Exact Mass: 222.00
Molecular Weight: 222.18
m/z: 222.00 (100.0%), 223.00 (9.6%), 223.99 (4.5%)
Elemental Analysis: C, 43.25; H, 2.27; F, 25.65; O, 14.40; S, 14.43
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: UMOGQQWVQUQTQA-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1C(=O)O)SC(F)(F)F
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Specification |
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98% |
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