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CAS Number: 590371-38-3
3-(trifluoromethyl)isonicotinic acid

Structure

3-(trifluoromethyl)isonicotinic acid
Name: 3-(trifluoromethyl)isonicotinic acid
Synonyms:
General Information
Product Number: 590371383

CAS Registry Number 590371-38-3
Name:
4-​Pyridinecarboxylic acid, 3-​(trifluoromethyl)​-
3-Trifluoromethylisonicotinic 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)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)

InChI Key:FBOSFEOQEZQFOC-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 205-207 °C (decomp) Solv: ethyl acetate (141-78-6); hexane (110-54-3) (1)CAS

Specification

98%

References

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

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