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4-Bromophenylacetone

4-Bromophenylacetone structure

4-Bromophenylacetone 

structure
  • CAS No:

    6186-22-7

  • Formula:

    C9H9BrO

  • Chemical Name:

    4-Bromophenylacetone

  • Synonyms:

    4-BROMOPHENYLACETONE;4-BROMOPHENYLACETONATE;LABOTEST-BB LT01143429;4-Bromophenylacetone,97%;4-Bromophenylacetone,99%;4-Bromophenylacetone ,98%;P-BROMO BENZYL METHYL KETONE;1-(4-BROMOPHENYL)PROPAN-2-ONE;1-(4-BROMOPHENYL)-2-PROPANONE

Description

clear light yellow liquid after melting

4-Bromophenylacetone Basic Attributes

213.074

211.983673

DTXSID60352996

2914700090

Characteristics

17.1

2.2

clear yellow liquid after melting

1.4±0.1 g/cm3

116-119 °C(lit.)

265.7±15.0°C at 760 mmHg

75.8±7.7 °C

1.546

Miscible with chloroform and dichloromethane. Slightly miscible with water.

Safety Information

S24/25

4-Bromophenylacetone Use and Manufacturing

A mixture of 1-bromo-4-(2-nitroprop-1-en-1-yl)benzene (116.8 g, 0.48 mol), iron powder(228 g, 4.08 mol) and iron (Ill) chloride (2.28 g, 14 mmol) in water (456 ml) was warmedto 65°C and 37percent hydrochloric acid (ca. 20 ml) added dropwise. Heating was stopped andthe mixture slowly exothermed to ca. 95°C. Once the exotherm had subsided, further37percent HCI (ca. 200 ml) was slowly added and the mixture left to stir to room temperature. Ethyl acetate (900 ml) was then added and the mixture stirred for 30 mm. It was then filtered through a pad of celite and the layers separated; the aqueous was extracted with further ethyl acetate (200 ml) and the combined organics washed with brine and driedover magnesium sulphate. After filteration and concentrated to give 2-(4- bromophenyl)acetone (2044550) as an oil (96.5g (94percent)) which was pure enough to use in the following step.

Computed Properties

Molecular Weight:213.07
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:211.98368
Monoisotopic Mass:211.98368
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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