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(4-Bromophenyl)acetonitrile

(4-Bromophenyl)acetonitrile structure

CAS No:
16532-79-9
Formula:
C8H6BrN
Chemical Name:
(4-Bromophenyl)acetonitrile
Synonyms:
Benzeneacetonitrile,4-bromo-;Acetonitrile,(p-bromophenyl)-;4-Bromobenzeneacetonitrile;(p-Bromophenyl)acetonitrile;4-Bromobenzyl cyanide;2-(4-Bromophenyl)acetonitrile;(4-Bromophenyl)acetonitrile;p-Bromobenzyl cyanide;4-(Cyanomethyl)bromobenzene;1-Bromo-4-cyanomethylbenzene;NSC 84174;4-Bromobenzyl nitrile;4-(Cyanomethyl)-1-bromobenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colorless to pale brown crystalline mass

(4-Bromophenyl)acetonitrile Basic Attributes

Molecular Weight：

196.04

Exact Mass：

196.04

BRN：

1861069

EC Number：

240-602-2

NSC Number：

84174

DSSTox ID：

DTXSID6051774

HScode：

29269090

Characteristics

PSA：

23.8

XLogP3：

2.5

Appearance：

Colorless to pale brown Crystalline Mass

Density：

1.49

Melting Point：

50 °C

Boiling Point：

142 °C @ Press: 5 Torr

Flash Point：

>230 °F

Refractive Index：

1.6550 (estimate)

Water Solubility：

slightly soluble

Storage Conditions：

Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Toxicity：

Intravenous-Mouse LD50: 56 mg/kg

Flammability characteristics：

Thermal decomposition emits toxic nitrogen oxides, bromide and cyanide fumes

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38-20/21/22/36/37/39

safety instructions：

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

RTECS Number：

AL8090000

Marks：

Xn,Xi

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from food raw materials

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

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

Hazard Statements：

H301-H312 + H332-H315-H319-H335

GHS Classification：

|Danger|H301 (79.31%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 58 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

(4-Bromophenyl)acetonitrile Use and Manufacturing

Uses

A chemical model used for the study and analysis of human buccal absorption of pharmaceuticals.

Manufacturing Info：

Benzeneacetonitrile, 4-bromo-: INACTIVE|T - indicates a substance that is the subject of a final TSCA section 4 test rule.

Computed Properties

Molecular Weight:196.04
XLogP3:2.5
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:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 16532-79-9

Grade: Pharmaceutical Grade

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4-Bromophenylacetonitrile

CAS No.: 16532-79-9

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Guide of (4-Bromophenyl)acetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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(4-Bromophenyl)acetonitrile

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