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2-Fluoro-3-pyridinecarbonitrile

2-Fluoro-3-pyridinecarbonitrile structure

2-Fluoro-3-pyridinecarbonitrile 

structure
  • CAS No:

    3939-13-7

  • Formula:

    C6H3FN2

  • Chemical Name:

    2-Fluoro-3-pyridinecarbonitrile

  • Synonyms:

    3-Pyridinecarbonitrile,2-fluoro-;Nicotinonitrile,2-fluoro-;2-Fluoro-3-pyridinecarbonitrile;2-Fluoronicotinonitrile;3-Cyano-2-fluoropyridine

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2-Fluoro-3-pyridinecarbonitrile Basic Attributes

122.1

122.10

386567

2017-001-1

DTXSID40382539

29333990

Characteristics

36.7

1

1.2±0.1 g/cm3

30 °C

214.6°C at 760 mmHg

98℃

1.510

Safety Information

III

6.1

3276

3

20/21/22-36/37/38-5-36/38-22

26-36/37/39-36-24/25-23-3

Xi,Xn

Harmful/Irritant

P305 + P351 + P338

H302-H315-H319

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Fluoro-3-pyridinecarbonitrile Use and Manufacturing

General procedure: To a solution of 2, 3-dichloropyridine(1.00 g, 6.76 mmol) in DMSO (33.8 ml) was added CsF (2.053 g, 13.51mmol) at room temperature. The mixture was stirred at 110 °C under air for 20h. The mixture was quenched with water at room temperature and extracted withEtOAc. The organic layer was separated, washed with water and brine, dried overNaPreparation 51; 2-Fluoro-nicotinonitrile; Add resin bound triphenylphosphine (4.0 g, 12.0 mmol) to a solution of 2-fluoro- nicotinamide (0.6 g, 4.3 mmol) in dichloroethane (20.0 mL) and carbon tetrachloride (20.0 mL). Reflux for 18 hours, cool to RT, filter, and concentrate the filtrate under vacuum. Purify by flash column on silica gel eluting with 10-60percent EtOAc in hexanes to give the title compound (0.34 g, 64percent). MS (ES) 123.1 (M+l) +. 1H NMR (400 MHz, CHC13) 6 8.46 (m, 1H), 8.09 (m, 1H), 7.37 (m, 1H).To a 20 mL scintillation vial was added

Computed Properties

Molecular Weight:122.10
XLogP3:1
Hydrogen Bond Acceptor Count:3
Exact Mass:122.02802627
Monoisotopic Mass:122.02802627
Topological Polar Surface Area:36.7
Heavy Atom Count:9
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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