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CAS Number: 749875-07-8
2-bromo-6-(trifluoromethyl)nicotinic acid

Structure

2-bromo-6-(trifluoromethyl)nicotinic acid
Name: 2-bromo-6-(trifluoromethyl)nicotinic acid
Synonyms:
General Information
Product Number: 749875078

CAS Registry Number 749875-07-8
Name:
3-​Pyridinecarboxylic acid, 2-​bromo-​6-​(trifluoromethyl)​-

 

Chemical Formula: C7H3BrF3NO2
Exact Mass: 268.93
Molecular Weight: 270.00
m/z: 268.93 (100.0%), 270.93 (97.7%), 269.93 (8.0%), 271.93 (7.5%)

 

InChI: InChI=1S/C7H3BrF3NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKey: YLKWDJIZOAKOIM-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=NC(=C1C(=O)O)Br)C(F)(F)F

 

Thermal Properties Value Condition Note
Melting Point 116-119 °C Solv: ethyl acetate (141-78-6); heptane (142-82-5) (1)CAS

Specification

98%

References
  1. (1) Cottet, Fabrice; Synthesis 2004, (10), P1619-1624 CAPLUS
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