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CAS Number: 231291-22-8
6-(trifluoromethyl)nicotinic acid

Structure

6-(trifluoromethyl)nicotinic acid
Name: 6-(trifluoromethyl)nicotinic acid
Synonyms:
General Information
Product Number: 231291228

CAS Registry Number 231291-22-8
Name:
3-​Pyridinecarboxylic acid, 6-​(trifluoromethyl)​-
2-Trifluoromethyl-5-pyridinecarboxylic acid
6-Trifluoromethyl-3-pyridinecarboxylic acid
6-Trifluoromethylnicotinic acid

 

Chemical Formula: C7H4F3NO2
Exact Mass: 191.02
Molecular Weight: 191.11
m/z: 191.02 (100.0%), 192.02 (8.0%)

 

InChI:InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-3H,(H,12,13)

InChI Key:JNYLMODTPLSLIF-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=NC=C1C(=O)O)C(F)(F)F

 

Thermal Properties Value Condition Note
Melting Point 188-189 °C Solv: chloroform (67-66-3); methanol (67-56-1) (2)CAS

Specification

98%

References

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

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