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4-Bromophenylacetone

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
Categories:
Organic Chemistry > Ketones

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Description

clear light yellow liquid after melting

4-Bromophenylacetone Basic Attributes

Molecular Weight：

213.074

Exact Mass：

211.983673

DSSTox ID：

DTXSID60352996

HScode：

2914700090

Characteristics

PSA：

17.1

XLogP3：

2.2

Appearance：

clear yellow liquid after melting

Density：

1.4±0.1 g/cm3

Melting Point：

116-119 °C(lit.)

Boiling Point：

265.7±15.0°C at 760 mmHg

Flash Point：

75.8±7.7 °C

Refractive Index：

1.546

Water Solubility：

Miscible with chloroform and dichloromethane. Slightly miscible with water.

Safety Information

safety instructions：

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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4-Bromophenylacetone RC01770

Unit Price: $1 /KG EXW

CAS No.: 6186-22-7

Grade: Industrial Grade

Content: 99%

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