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CAS Number: 505084-58-2
2-chloro-5-(trifluoromethyl)isonicotinic acid

Structure

2-chloro-5-(trifluoromethyl)isonicotinic acid
Name: 2-chloro-5-(trifluoromethyl)isonicotinic acid
Synonyms:
General Information
Product Number: 505084582

CAS Registry Number 505084-58-2
Name:
4-​Pyridinecarboxylic acid, 2-​chloro-​5-​(trifluoromethyl)​-
2-Chloro-5-(trifluoromethyl)pyridine-4-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%)

 

InChI:InChI=1S/C7H3ClF3NO2/c8-5-1-3(6(13)14)4(2-12-5)7(9,10)11/h1-2H,(H,13,14)

InChI Key:OIODRBHIESSYRO-UHFFFAOYSA-N

Canonical SMILES:C1=C(C(=CN=C1Cl)C(F)(F)F)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 185-186 °C (decomp) Solv: ethyl acetate (141-78-6); hexane (110-54-3) (1)CAS

Specification

98%

References
  1. (1) Cottet, Fabrice; European Journal of Organic Chemistry 2003, (8), P1559-1568 CAPLUS
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