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2-BROMO-4-METHYLBENZONITRILE

2-BROMO-4-METHYLBENZONITRILE structure

CAS No:
42872-73-1
Formula:
C8H6BrN
Chemical Name:
2-BROMO-4-METHYLBENZONITRILE
Synonyms:
2-BROMO-4-METHYLBENZONITRILE;2-BroMo-4-Methylbenzonitrile 97%;2-BroMo-4-Methylbenzonitrile, 97+%;Benzonitrile,2-bromo-4-methyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

off-white crystalline

2-BROMO-4-METHYLBENZONITRILE Basic Attributes

Molecular Weight：

196.04

Exact Mass：

194.968353

DSSTox ID：

DTXSID10356242

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.7

Density：

1.5±0.1 g/cm3

Melting Point：

51-53°C

Boiling Point：

110°C/5mm

Flash Point：

110 °C

Refractive Index：

1.591

Safety Information

Hazard category：

IRRITANT, IRRITANT-HARMFUL

Transport codes：

3439

wgk germany：

hazard class code：

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

safety instructions：

26-36/37/39

Marks：

Xi,Xn

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

2-BROMO-4-METHYLBENZONITRILE Use and Manufacturing

2-Bromo-4-methylbenzonitrileTo a suspension of 2-bromo-4-methylbenzamide (14.8 g, 69.1 mmol) in CHCI3 was added phosphorous pentoxide (24.5 g, 172.8 mmol) and the mixture keep refluxing for 12 h. The reaction was allowed to cool to room temperature, and put into the ice water under the condition of stirring.The organic layer was separated and the aqueous layer was extracted with CHCI3 (150 mL x 2).The combined organic phase was washed with brine, and dried over Na2-Bromo-4-methylbenzonitriIe (TJA02020) CA mixture of

Computed Properties

Molecular Weight:196.04
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Exact Mass:194.96836
Monoisotopic Mass:194.96836
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Potassium hydroxide

Sodium carbonate

Ethanol

Sodium nitrite

Hydrochloric acid

Sulfuric acid

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Guide of 2-BROMO-4-METHYLBENZONITRILE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Latest News
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2-BROMO-4-METHYLBENZONITRILE

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