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Home > Encyclopedia > 5,6-dichloronicotinonitrile

5,6-dichloronicotinonitrile

5,6-dichloronicotinonitrile structure

5,6-dichloronicotinonitrile 

structure
  • CAS No:

    65189-15-3

  • Formula:

    C6H2Cl2N2

  • Chemical Name:

    5,6-dichloronicotinonitrile

  • Synonyms:

    5,6-dichloronicotinonitrile;5,6-dichloropyridine-3-carbonitrile;5,6-dichloro-3-pyridinecarbonitrile;3-Pyridinecarbonitrile, 5,6-dichloro-;5,6-dichloro-nicotinonitrile;SCHEMBL231937;3-Cyano-5,6-dichloropyridine;2,3-Dichloro 5-cyano pyridine;CTK5C2337;KS-00000ITZ

5,6-dichloronicotinonitrile Basic Attributes

173

171.959503

DTXSID60512174

2933399090

Characteristics

36.7

2.2

1.5±0.1 g/cm3

146-148°

100.5±25.9 °C

1.587

Safety Information

IRRITANT

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5,6-dichloronicotinonitrile Use and Manufacturing

Intermediate 1 (8.4 g, 44 mmol) is suspended in 76 mL of thionyl chloride. The reaction mixture is stirred under reflux for 72h. The solvent is reduced under vacuum and the residue is dissolved in chloroform. The organic layer is washed with water and dried over anhydrous sodium sulfate. After reducing the solvent under vacuum, the solid is first purified via column chromatography (reversed phase, eluent: acetonitrile/dichloromethane) and then crystallized in ethyl acetate to give the title product in 78percent yield (5.95 g). H-NMR (CDCIa) (0508) To a stirred solution of

Computed Properties

Molecular Weight:173.00
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:171.9595035
Monoisotopic Mass:171.9595035
Topological Polar Surface Area:36.7
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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