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Home > Encyclopedia > 2-BROMO-4-METHYLBENZONITRILE

2-BROMO-4-METHYLBENZONITRILE

2-BROMO-4-METHYLBENZONITRILE structure

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

Description

off-white crystalline

2-BROMO-4-METHYLBENZONITRILE Basic Attributes

196.04

194.968353

DTXSID10356242

2926909090

Characteristics

23.8

2.7

1.5±0.1 g/cm3

51-53°C

110°C/5mm

110 °C

1.591

Safety Information

IRRITANT, IRRITANT-HARMFUL

3439

3

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

26-36/37/39

Xi,Xn

P264, P270, P301+P312, P330, P501

H302

|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

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