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CAS Number: 117724-63-7
2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid

Structure

2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid
Name: 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid
Synonyms:
General Information
Product Number: 117724637
CAS Registry Number: 117724-63-7
Name:
        5-​Thiazolecarboxylic acid, 2-​methyl-​4-​(trifluoromethyl)​-
        2-​Methyl-​4-​(trifluoromethyl)​-​1,​3-​thiazole-​5-​carboxylic acid; 2-​Methyl-​4-​trifluoromethylthiaz​ole-​5-​carboxylic acid 
 
Chemical Formula: C6H4F3NO2S
Exact Mass: 210.99
Molecular Weight: 211.16
m/z: 210.99 (100.0%), 211.99 (7.7%), 212.99 (4.6%)
Elemental Analysis: C, 34.13; H, 1.91; F, 26.99; N, 6.63; O, 15.15; S, 15.19
 
InChI: InChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
InChIKey: REKJPVUFKQYMHW-UHFFFAOYSA-N
Canonical SMILES : CC1=NC(=C(S1)C(=O)O)C(F)(F)F

Specification

98%

References

 

  1. (1) Quan, Gui Xiang; Acta Crystallographica, Section E: Structure Reports Online 2009, V65(10), Po2500 CAPLUS
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