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2-Bromoisobutyrophenone

2-Bromoisobutyrophenone structure

CAS No:
10409-54-8
Formula:
C10H11BrO
Chemical Name:
2-Bromoisobutyrophenone
Synonyms:
1-Propanone,2-bromo-2-methyl-1-phenyl-;Propiophenone,2-bromo-2-methyl-;2-Bromo-2-methyl-1-phenyl-1-propanone;2-Bromo-2-methylpropiophenone;α-Bromoisobutyrophenone;2-Bromoisobutyrophenone;2-Benzoyl-2-bromopropane;α,α-Dimethylphenacyl bromide;α-Bromoisopropyl phenyl ketone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear yellow liquid

2-Bromoisobutyrophenone Basic Attributes

Molecular Weight：

227.1

Exact Mass：

227.10

EC Number：

233-879-6

UNII：

85F2QK25CN

DSSTox ID：

DTXSID40146274

HScode：

29147000

Characteristics

PSA：

17.1

XLogP3：

2.89

Appearance：

clear yellow liquid

Density：

1.3613 g/cm³ @ Temp: 14.400009765625 °C

Boiling Point：

135-137 °C @ Press: 17 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.5561(lit.)

Vapor Pressure：

0.0188mmHg at 25°C

Safety Information

Transport codes：

UN 2810 6.1/PG 2

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-27-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:227.10
XLogP3:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:225.99933
Monoisotopic Mass:225.99933
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes