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3-(2-Bromoacetyl)benzonitrile

3-(2-Bromoacetyl)benzonitrile structure

CAS No:
50916-55-7
Formula:
C9H6BrNO
Chemical Name:
3-(2-Bromoacetyl)benzonitrile
Synonyms:
BUTTPARK 41\03-54;3-CYANOPHENACYL BROMIDE;3-(2-BROMOACETYL)BENZENECARBONITRILE;3-(2-BROMOACETYL)BENZONITRILE;3-(Bromoacetyl)benzonitrile;3-(2-Bromoacetyl)benzonitrile, 95+%;3-Cyanophenacyl bromide 95%;3-(2-Bromoacetyl)benzonitrile3-(2-Bromoacetyl)benzonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Light yellow solid

3-(2-Bromoacetyl)benzonitrile Basic Attributes

Molecular Weight：

224.05

Exact Mass：

222.963272

DSSTox ID：

DTXSID70370989

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

Density：

1.6±0.1 g/cm3

Melting Point：

65-67°C

Boiling Point：

317.7°C at 760 mmHg

Flash Point：

145.9±22.3 °C

Refractive Index：

1.590

Safety Information

Packing level：

Ⅲ

Hazard category：

IRRITANT

Transport codes：

3261

hazard class code：

20/21/22-34

safety instructions：

26-36/37/39-45

Marks：

Hazard note：

Corrosive

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (33.33%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(2-Bromoacetyl)benzonitrile Use and Manufacturing

Used in the study of novel GSK-3 inhibitors as central nervous system agents.

Computed Properties

Molecular Weight:224.05
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:222.96328
Monoisotopic Mass:222.96328
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl acetate

Sodium bicarbonate

Zinc acetate dihydrate

Argon

Trifluoroacetic acid

Hydrochloric acid

Sodium chloride

PETROLEUM ETHER

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3-(2-Bromoacetyl)benzonitrile

CAS No.: 50916-55-7

Content: 99.00%

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Guide of 3-(2-Bromoacetyl)benzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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3-(2-Bromoacetyl)benzonitrile

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