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Home > Encyclopedia > 4-Bromo-N-methylbenzamide 98%

4-Bromo-N-methylbenzamide 98%

4-Bromo-N-methylbenzamide 98% structure

4-Bromo-N-methylbenzamide 98% 

structure
  • CAS No:

    27466-83-7

  • Formula:

    C8H8BrNO

  • Chemical Name:

    4-Bromo-N-methylbenzamide 98%

  • Synonyms:

    4-Bromo-N-methylbenzamide 98%;4-Bromo-N-methylbenzamide;N-Methyl 4-bromobenzamide;benzamide, 4-bromo-N-methyl-;4-bromo-N-methylbenzamide(SALTDATA: FREE);N-Methyl-p-bromobenzamide;p-Bromo-N-methylbenzamide

4-Bromo-N-methylbenzamide 98% Basic Attributes

214.07

212.978912

2924299090

Characteristics

29.1

1.8

1.5±0.1 g/cm3

173-174℃

329.8°C at 760 mmHg

153.3±23.2 °C

1.565

Safety Information

IRRITANT

22

Xi

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromo-N-methylbenzamide 98% Use and Manufacturing

4-Bromo benzoyl chloride (5.0g, 22.8 mmol) was added to DCM (100 ml), to this was added TEA (7.0 ml, 50.2 mmol) followed by the slow addition of methylamine (20 ml, 2.0N in THF). The reaction was stirred for 1 hour before being quenched with HCl (2.0 N; 50 ml), EPO To stirred solution of 4-bromobenzoic acid (6.00 g, 29.8 mmol) in methylene chloride (80 mL) was added N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride (6.30 g, 32.9 mmol), 4-(dimethylamino)pyridine (7.70 g, 63.0 mmol) and methylamine hydrochloride (2.23 g, 33.0 mmol). The mixture was stirred overnight and then washed with 1.0 N hydrochloric acid, dried (Na15-D-2 To a solution of 4-bromobenzoic acid (402.0mg, 2mmol) in DMF (10 mL), was added HATU(836.5mg, 2.2 mmol) and DIEA (697.0μL, 4mmol). After stirring for 5 minutes at room temperature, methylamine hydrochloride salt (135.0mg, 2mmol) was added. The solution was stirred at rt overnight. EPO

Computed Properties

Molecular Weight:214.06
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:212.97893
Monoisotopic Mass:212.97893
Topological Polar Surface Area:29.1
Heavy Atom Count:11
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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