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2′-Bromoacetophenone

2′-Bromoacetophenone structure

CAS No:
2142-69-0
Formula:
C8H7BrO
Chemical Name:
2′-Bromoacetophenone
Synonyms:
Ethanone,1-(2-bromophenyl)-;Acetophenone,2′-bromo-;1-(2-Bromophenyl)ethanone;o-Bromoacetophenone;2′-Bromoacetophenone;o-Bromophenyl methyl ketone;1-Acetyl-2-bromobenzene;2-Bromophenyl methyl ketone;2-Acetylbromobenzene;NSC 155380;1-Bromo-2-acetylbenzene;Methyl 2-bromophenyl ketone;1-(2-Bromophenyl)ethan-1-one;o-Acetylphenyl bromide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear pale yellow to orange liquid

2′-Bromoacetophenone Basic Attributes

Molecular Weight：

199.047

Exact Mass：

199.04

EC Number：

218-398-1

NSC Number：

155380

DSSTox ID：

DTXSID90175690

HScode：

29147090

Characteristics

PSA：

17.1

XLogP3：

2.2

Appearance：

Clear pale yellow liquid.

Density：

1.5±0.1 g/cm3

Melting Point：

°C

Boiling Point：

113-114 °C @ Press: 11 Torr

Flash Point：

86.6±9.9 °C

Refractive Index：

1.554

Water Solubility：

Practically insoluble in water

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.0235mmHg at 25°C

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37/39

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.83%): 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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:199.04
XLogP3:2.2
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:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

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