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CAS Number: 455-69-6
methyl 2-fluoroisonicotinate

Structure

methyl 2-fluoroisonicotinate
Name: methyl 2-fluoroisonicotinate
Synonyms:
General Information
Product Number: 455696
CAS Registry Number: 455-69-6
Name:
4-​Pyridinecarboxylic acid, 2-​fluoro-​, methyl ester
Isonicotinic acid, 2-​fluoro-​, methyl ester (8CI); NSC 402994 
 
Chemical Formula: C7H6FNO2
Exact Mass: 155.04
Molecular Weight: 155.13
m/z: 155.04 (100.0%), 156.04 (8.1%)
Elemental Analysis: C, 54.20; H, 3.90; F, 12.25; N, 9.03; O, 20.63
 
InChI: InChI=1S/C7H6FNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
InChIKey: MTZKFHSYUSUUIU-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=NC=C1)F
 
Thermal Properties Value Condition Note
Boiling Point 82-85 °C Press: 8 Torr (1)IC

Specification

98%

References
  1. (1) Van der Puy, Michael; Tetrahedron Letters 1987, V28(3), P255-8 CAPLUS
  2. (2) Umemoto, Teruo; Journal of Organic Chemistry 1989, V54(7), P1726-31 CAPLUS
  3. (3) Deady, L. W.; Organic Magnetic Resonance 1975, V7(1), P41-5 CAPLUS
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