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(2-Bromophenyl)acetonitrile

(2-Bromophenyl)acetonitrile structure

CAS No:
19472-74-3
Formula:
C8H6BrN
Chemical Name:
(2-Bromophenyl)acetonitrile
Synonyms:
Benzeneacetonitrile,2-bromo-;Acetonitrile,(o-bromophenyl)-;2-Bromobenzeneacetonitrile;(o-Bromophenyl)acetonitrile;(2-Bromophenyl)acetonitrile;o-Bromobenzyl cyanide;2-Bromobenzyl cyanide;1-Bromo-2-cyanomethylbenzene;NSC 338412;2-Cyanomethylbromobenzene;2-(o-Bromophenyl)acetonitrile;2-(2-Bromophenyl)acetonitrile
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow liquid

(2-Bromophenyl)acetonitrile Basic Attributes

Molecular Weight：

196.04

Exact Mass：

196.04

BRN：

2043684

EC Number：

243-091-4

UNII：

S3GF4DI9A8

NSC Number：

338412

DSSTox ID：

DTXSID5075315

HScode：

29269090

Characteristics

PSA：

23.8

XLogP3：

2.3

Appearance：

clear to yellow liquid

Density：

1.51 g/mL at 25 °C(lit.)

Melting Point：

1 °C

Boiling Point：

145-147 °C @ Press: 13 Torr

Flash Point：

>110°C

Refractive Index：

1.568-1.572

Storage Conditions：

Room temperature.

Vapor Pressure：

0.00724mmHg at 25°C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

1694

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

36/37/39-26-38-37/39

RTECS Number：

AL8070000

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Danger|H301+H311+H331 (11.11%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 54 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:196.04
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:194.96836
Monoisotopic Mass:194.96836
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Bromobenzyl cyanide

CAS No.: 19472-74-3

Content: 99.00%

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Guide of (2-Bromophenyl)acetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
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(2-Bromophenyl)acetonitrile

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