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Home > Encyclopedia > 2-Cyano-3-fluoropyridine

2-Cyano-3-fluoropyridine

2-Cyano-3-fluoropyridine structure

2-Cyano-3-fluoropyridine 

structure
  • CAS No:

    97509-75-6

  • Formula:

    C6H3FN2

  • Chemical Name:

    2-Cyano-3-fluoropyridine

  • Synonyms:

    3-FLUORO-2-PYRIDINECARBONITRILE;3-FLUOROPICOLINONITRILE;2-CYANO-3-FLUOROPYRIDINE;3-Fluoropyridine-2-carbonitrile;3-Fluoropyridine-2-carbonitrile 97%;3-Fluoropyridine-2-carbonitrile97%;2-CYANO-3-FLUOROPYRIDINE,3-FLUORO-2-PYRIDINECARBONITRILE;2-Cyano-3-fluoropyridine, 97+%

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

Light yellow Cryst

2-Cyano-3-fluoropyridine Basic Attributes

122.1

122.028023

DTXSID40427611

2933399090

Characteristics

36.7

1

Light yellow cryst.

1.2±0.1 g/cm3

27-30°C

205.9ºC at 760mmHg

104 °C

1.510

Safety Information

III

6.1

3276

3

20/21/22-36/37/38-41-37/38

26-36/37/39-23

T,Xi,Xn

Toxic

P261-P280-P305 + P351 + P338

H302-H312-H315-H318-H332-H335

|Danger|H302 (95.65%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Cyano-3-fluoropyridine Use and Manufacturing

To solution of intermediate A (2. 85 g, 25.2 mmol) in dichloromethane (25 ml) at rt was added trimethylsilylcyanide (10.0 mL, 75.6 mmol) and the mixture was refluxed for 10h. After cooling to rt, saturated aqueous sodium bicarbonate solution (30 mL) was added and the reulting mixture was extracted with dichloromethane (3 x 150 mL). The combined organic extracts were dried over anhydrous sodium sulfate, filtered, and concentrated in vacuo to provided a light brown oil (4.60 g) as the crude product. This material was purified by flash column chromatography on silicas gel eluting with 30percent ethyl acetate in hexane to provide a light tan oil which solidified upon standing to give product B as a light tan solid (2.48 g, 84). HPLC Ret. Time: 1.03 min.A solution of 2-cyano-3-chloropyridine (1 g, 7.22 mmol) in 1-methyl-2-pyrrolidinone (25 mL) was treated with potassium fluoride (1.26 g, 21.68 mmol) and heated at reflux for 18 hours.

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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