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3-BROMO-4-CHLOROBENZONITRILE

3-BROMO-4-CHLOROBENZONITRILE structure

CAS No:
948549-53-9
Formula:
C7H3BrClN
Chemical Name:
3-BROMO-4-CHLOROBENZONITRILE
Synonyms:
3-bromo-4-chlorobenzonitrile;3-Bromo-4-chloro-benzonitrile;MFCD09025661;ACMC-209ru8;SCHEMBL13838518;CTK5H7207;KS-00000EHD;DTXSID20652323;ACN-S004591;ANW-40350
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Off-white crystalline

3-BROMO-4-CHLOROBENZONITRILE Basic Attributes

Molecular Weight：

216.46242

Exact Mass：

214.913727

DSSTox ID：

DTXSID20652323

Characteristics

PSA：

23.8

XLogP3：

2.9

Density：

1.7±0.1 g/cm3

Boiling Point：

260.2ºC at 760 mmHg

Flash Point：

111.1±21.8 °C

Refractive Index：

1.623

Storage Conditions：

Room temperature.

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-BROMO-4-CHLOROBENZONITRILE Use and Manufacturing

Add 4-chlorobenzonitrile 5g (3.63mmol) into 100mL 70percent sulfuric acid, stirring, slowly add potassium bromate 6.5g (5.98mmol), after 3 hours adding, the reaction at room temperature again 4 hours stirred, filtering, drying to obtain white solid 5.5g, GC tested content 98percent, yield 70percent.

Computed Properties

Molecular Weight:216.46
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Exact Mass:214.91374
Monoisotopic Mass:214.91374
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-bromo-4-chlorobenzonitrile

CAS No.: 948549-53-9

Content: 99.00%

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Guide of 3-BROMO-4-CHLOROBENZONITRILE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-BROMO-4-CHLOROBENZONITRILE

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