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CAS Number: 280566-45-2
2-chloro-6-(trifluoromethyl)nicotinic acid

Structure

2-chloro-6-(trifluoromethyl)nicotinic acid
Name: 2-chloro-6-(trifluoromethyl)nicotinic acid
Synonyms:
General Information
Product Number: 280566452
CAS Registry Number:
280566-45-2
Name
3-​Pyridinecarboxylic acid, 2-​chloro-​6-​(trifluoromethyl)​-
2-​Chloro-​6-​(trifluoromethyl)​nicotinic acid; 2-​Chloro-​6-​(trifluoromethyl)​pyridine-​3-​carboxylic acid 
 
Chemical Formula: C7H3ClF3NO2
Exact Mass: 224.98
Molecular Weight: 225.55
m/z: 224.98 (100.0%), 226.98 (32.4%), 225.98 (8.0%), 227.98 (2.5%)
Elemental Analysis: C, 37.28; H, 1.34; Cl, 15.72; F, 25.27; N, 6.21; O, 14.19
 
 
InChI: InChI=1S/C7H3ClF3NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKey: DXRBTBMFFGEVCX-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=NC(=C1C(=O)O)Cl)C(F)(F)F
MFCD01862658
 
Thermal Properties Value Condition Note
Melting Point 106-108 °C Solv: hexane (110-54-3); ethyl acetate (141-78-6) (1)CAS

Specification

98%

References

(1) Cottet, Fabrice; European Journal of Organic Chemistry 2004, (18), P3793-3798 CAPLUS

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