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2-Bromocyclohexanone

2-Bromocyclohexanone structure

CAS No:
822-85-5
Formula:
C6H9BrO
Chemical Name:
2-Bromocyclohexanone
Synonyms:
Cyclohexanone,2-bromo-;Cyclohexanone,2-bromo-,(±)-;2-Bromocyclohexanone;α-Bromocyclohexanone;2-Bromo-1-cyclohexanone;α-Monobromocyclohexanone;(±)-2-Bromo-1-cyclohexanone;74034-83-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Bromocyclohexanone Basic Attributes

Molecular Weight：

177.03900

Exact Mass：

177.04

DSSTox ID：

DTXSID30472791

HScode：

2914700090

Characteristics

PSA：

17.07000

XLogP3：

1.89300

Density：

1.350 g/cm³ @ Temp: 25 °C

Boiling Point：

89-90 °C @ Press: 14 Torr

Refractive Index：

1.516

Safety Information

Transport codes：

UN 3334

wgk germany：

safety instructions：

26-36/37

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H317-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, 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.

Drug Information

MeSH Entry Terms：

2-bromocyclohexanone

Computed Properties

Molecular Weight:177.04
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Exact Mass:175.98368
Monoisotopic Mass:175.98368
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:101
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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