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3-Cyanobenzyl bromide

3-Cyanobenzyl bromide structure

CAS No:
28188-41-2
Formula:
C8H6BrN
Chemical Name:
3-Cyanobenzyl bromide
Synonyms:
Benzonitrile,3-(bromomethyl)-;m-Tolunitrile,α-bromo-;3-(Bromomethyl)benzonitrile;m-Cyanobenzyl bromide;3-Cyanobenzyl bromide;m-(Bromomethyl)benzonitrile;α-Bromo-m-tolunitrile;m-Cyano-α-bromotoluene;NSC 108298;1-Bromomethyl-3-cyanobenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

almost white to beige crystalline powder

3-Cyanobenzyl bromide Basic Attributes

Molecular Weight：

196.04

Exact Mass：

196.04

BRN：

742356

EC Number：

248-890-1

NSC Number：

108298

DSSTox ID：

DTXSID8067363

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

2.3

Appearance：

Almost white to beige Crystalline Powder

Density：

1.5±0.1 g/cm3

Melting Point：

93 °C

Boiling Point：

130 °C @ Press: 4 Torr

Flash Point：

118.0±20.4 °C

Refractive Index：

1.588

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.00644mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45-28A

Marks：

Hazard note：

Corrosive

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H302 (16%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 50 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Cyanobenzyl bromide Use and Manufacturing

Manufacturing Info：

Benzonitrile, 3-(bromomethyl)-: ACTIVE

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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3-Cyanobenzyl bromide

CAS No.: 28188-41-2

Content: 99.00%

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