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p-Bromoacetophenone

p-Bromoacetophenone structure

CAS No:
99-90-1
Formula:
C8H7BrO
Chemical Name:
p-Bromoacetophenone
Synonyms:
Ethanone,1-(4-bromophenyl)-;Acetophenone,4′-bromo-;Acetophenone,p-bromo-;1-(4-Bromophenyl)ethanone;p-Bromoacetophenone;4′-Bromoacetophenone;Methyl p-bromophenyl ketone;p-Bromophenyl methyl ketone;4-Bromophenyl methyl ketone;Methyl 4-bromophenyl ketone;p-Acetylphenyl bromide;p-Acetylbromobenzene;1-Acetyl-4-bromobenzene;1-(p-Bromophenyl)ethanone;p-Bromphenyl methyl ketone;4-Acetylphenyl bromide;1-Bromo-4-acetylbenzene;4-Acetylbromobenzene;NSC 17541;4-Acetyl-1-bromobenzene;4-Bromohypnone;4-Bromobenzene methyl ketone;4-Bromo-1-acetylbenzene;1-(4-Bromophenyl)ethan-1-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light yellow crystals or

p-Bromoacetophenone Basic Attributes

Molecular Weight：

199.05

Exact Mass：

199.04

EC Number：

202-799-3

UNII：

7NB3XRY0C6

NSC Number：

17541

DSSTox ID：

DTXSID4059203

HScode：

2914700090

Characteristics

PSA：

17.1

XLogP3：

2.4

Appearance：

white crystal

Density：

1.5±0.1 g/cm3

Melting Point：

50.5 °C

Boiling Point：

257 °C

Flash Point：

94.3±9.9 °C

Refractive Index：

1.554

Water Solubility：

Soluble in Chloroform. Insoluble in water.

Storage Conditions：

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

R36/38

safety instructions：

S26-S36/37/39-S45-S22-S36/37

RTECS Number：

AM6950000

Marks：

Xi:Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H315-H319-H334-H335

GHS Classification：

|Danger|H302 (82.35%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-bromoacetophenone

p-Bromoacetophenone Use and Manufacturing

Uses

Possess activity against positive phototaxis of Chlamydomonas cells. A fundamental starting material for organic synthesis. Intermediates of Liquid Crystals

Manufacturing Info：

Ethanone, 1-(4-bromophenyl)-: ACTIVE

Computed Properties

Molecular Weight:199.04
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:197.96803
Monoisotopic Mass:197.96803
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetonitrile

Aluminum trichloride hexahydrate

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4'-Bromoacetophenone RC04148

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