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2-Bromo-5-cyanopyridine

2-Bromo-5-cyanopyridine structure

CAS No:
139585-70-9
Formula:
C6H3BrN2
Chemical Name:
2-Bromo-5-cyanopyridine
Synonyms:
6-BroMonicotinitrile;2-Bromo-5-cyanopyridine≥ 98.5% (HPLC);5-Cyano-2-bromopyridine;3-PYRIDINECARBONITRILE, 6-BROMO-;6-BROMO-NICOTINONITRILE;2-BROMO-5-CYANOPYRIDINE;6-Bromo-3-cynopyridine;2-Bromo-5-cyanopyridine 97%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White to yellow crystalline solid

2-Bromo-5-cyanopyridine Basic Attributes

Molecular Weight：

183.01

Exact Mass：

181.947952

EC Number：

-0

DSSTox ID：

DTXSID30407447

HScode：

29333990

Characteristics

PSA：

36.7

XLogP3：

1.6

Appearance：

Solid

Density：

1.72±0.1 g/cm3(Predicted)

Melting Point：

136-140

Boiling Point：

261.6±20.0 °C(Predicted)

Flash Point：

112.0±21.8 °C

Refractive Index：

1.612

Storage Conditions：

Keep Cold

Vapor Pressure：

0.011mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

36/37/38-41-37/38-22

safety instructions：

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

Marks：

Xi,Xn

Hazard note：

Irritant/Keep Cold

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301 (86.36%): 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 22 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-5-cyanopyridine Use and Manufacturing

Step A 6-Bromonicotinonitrile. 6-Chloronicotinonitrile (13.8 g, 100 mmol) was heated at 145 °C in phosphorus tribromide (150 ml.) for 32 h. After cooling, the mixture was concentrated in vacuo. To the residue was added phosphorus tribromide (150 ml_), and the mixture was heated at 145 °C for another 32 h. After cooling, the mixture was concentrated in vacuo, and an ice-water mixture (500 ml.) was added. Sodium bicarbonate was added to neutralize the mixture, and the product was extracted with ethyl acetate (3

Computed Properties

Molecular Weight:183.01
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Exact Mass:181.94796
Monoisotopic Mass:181.94796
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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CAS No.: 139585-70-9

Content: 99%

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Content: 99%

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