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Home > Encyclopedia > 5-Bromo-2-chloro-3-pyridinecarbonitrile

5-Bromo-2-chloro-3-pyridinecarbonitrile

5-Bromo-2-chloro-3-pyridinecarbonitrile structure

5-Bromo-2-chloro-3-pyridinecarbonitrile 

structure
  • CAS No:

    405224-23-9

  • Formula:

    C6H2BrClN2

  • Chemical Name:

    5-Bromo-2-chloro-3-pyridinecarbonitrile

  • Synonyms:

    3-Pyridinecarbonitrile,5-bromo-2-chloro-;5-Bromo-2-chloro-3-pyridinecarbonitrile;5-Bromo-2-chloronicotinonitrile;5-Bromo-2-chloropyridine-3-carbonitrile;1779403-34-7

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

5-Bromo-2-chloro-3-pyridinecarbonitrile Basic Attributes

217.45

217.45

DTXSID90620594

2933399090

Characteristics

36.7

2.2

Solid

1.9±0.1 g/cm3

138.0 to 142.0 °C

272.7°C at 760 mmHg

118.7±25.9 °C

1.629

Slightly soluble in water.

Safety Information

III

6.1

UN 2811 6.1 / PGIII

3

25-37/38-41

26-39

Xi,T

P261-P280-P301 + P310-P305 + P351 + P338

H301-H315-H318-H335

|Danger|H301 (95.24%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromo-2-chloro-3-pyridinecarbonitrile Use and Manufacturing

To a stirred solution of compound 2 (4.6 g) in HC1 (48.4 mL ) was added sodium nitrite ( 5.3 mL ) dropwise at-5 °C. The reaction mixture was stirred at room temperature for 2h. The resulting solids were collected by filtration and dried in vacuum to give compound 3 (4.4 g, 88percent).Step-2 [0069] To a stirred solution of compound 2 (4.6 g) in HCl (48.4 mL) was added sodium nitrite (5.3 mL) dropwise at −5° C. The reaction mixture was stirred at room temperature for 2 h. The resulting solids were collected by filtration and dried in vacuum to give compound 3 (4.4 g, 88percent).5-bromo-2-chloropyridine-3-carbonitrile (3) ; [00141] Compound 2 was dissolved in cone. HCl at O5-Bromo-2-chloronicotinonitrile (13) Compound 12 (69 mg, 0.35 mmol) and PClPOCl

Computed Properties

Molecular Weight:217.45
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:215.90899
Monoisotopic Mass:215.90899
Topological Polar Surface Area:36.7
Heavy Atom Count:10
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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