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CAS Number: 393-53-3
3-fluoroisonicotinic acid

Structure

3-fluoroisonicotinic acid
Name: 3-fluoroisonicotinic acid
Synonyms:
General Information
Product Number: 393533

CAS Registry Number 393-53-3
Name:
4-​Pyridinecarboxylic acid, 3-​fluoro-
Isonicotinic acid, 3-fluoro- (8CI)
3-Fluoroisonicotinic acid
3-Fluoropyridine-4-carboxylic acid
NSC 402974

 

Chemical Formula: C6H4FNO2
Exact Mass: 141.02
Molecular Weight: 141.10
m/z: 141.02 (100.0%), 142.03 (6.6%)

 

InChI:InChI=1S/C6H4FNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)

InChI Key:POLXLLIQWDBJMD-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 256-257 °C   (2)CAS
Melting Point 254-256 °C (decomp)   (3)CAS

Specification

98%

References
  1. (2) Roe, Arthur; Journal of Organic Chemistry 1955, V20, P1729-32 CAPLUS
  2. (3) Marzi, Elena; European Journal of Organic Chemistry 2005, (10), P2116-2123 CAPLUS
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