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Structure

3-Cyano-5-fluoropyridine

CAS
696-42-4
Catalog Number
ACM696424
Category
Other Products
Molecular Weight
122.0998232
Molecular Formula
C6H3FN2

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Specification

Synonyms
5-Fluoronicotinonitrile, 696-42-4, 5-fluoropyridine-3-carbonitrile, 3-Cyano-5-fluoropyridine, 5-fluoro-3-pyridinecarbonitrile, AG-G-71298, ACMC-1AZ9D, SureCN3409149, CTK5D0705, 3-FLUORO-5-CYANOPYRIDINE, 3-Pyridinecarbonitrile,5-fluoro-, 5-FLUORO-3-CYANOPYRIDINE, MolPort-001-776-844, 5-fluoranylpyridine-3-carbonitrile, ANW-35734, PC7108, ZINC12471972, AKOS005064059, AB49149, RP00682
IUPAC Name
5-fluoropyridine-3-carbonitrile
Canonical SMILES
C1=C(C=NC=C1F)C#N
InChI Key
LQJWCPZRNHAVJD-UHFFFAOYSA-N
Boiling Point
195.6ºC at 760 mmHg
Flash Point
72.1ºC
Density
1.514 g/cm³
Exact Mass
122.02800
H-Bond Acceptor
3
H-Bond Donor
0

Upstream Synthesis Route 1

  • 557-21-1
  • 407-20-5
  • 696-42-4

Reference: [1] Patent: WO2013/43520, 2013, A1, . Location in patent: Page/Page column 37

Upstream Synthesis Route 2

  • 35590-37-5
  • 696-42-4

Reference: [1] Journal of the American Chemical Society, 2014, vol. 136, # 10, p. 3792 - 3795

Upstream Synthesis Route 3

  • 557-21-1
  • 407-20-5
  • 696-42-4

Reference: [1]Patent: WO2013/43520,2013,A1 .Location in patent: Page/Page column 37

Upstream Synthesis Route 4

  • 35590-37-5
  • 696-42-4

Reference: [1]Journal of the American Chemical Society,2014,vol. 136,p. 3792 - 3795

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