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2-Chlorocyclohexanone

2-Chlorocyclohexanone structure

CAS No:
822-87-7
Formula:
C6H9ClO
Chemical Name:
2-Chlorocyclohexanone
Synonyms:
Cyclohexanone,2-chloro-;Cyclohexanone,2-chloro-,(±)-;2-Chlorocyclohexanone;α-Chlorocyclohexanone;2-Chlorocyclohexan-1-one;(±)-2-Chloro-1-cyclohexanone;(±)-2-Chlorocyclohexanone;NSC 12439;64304-91-2
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear brown liquid

2-Chlorocyclohexanone Basic Attributes

Molecular Weight：

132.587

Exact Mass：

132.59

EC Number：

212-505-5

NSC Number：

12439

DSSTox ID：

DTXSID1021530

HScode：

29147000

Characteristics

PSA：

17.1

XLogP3：

0.71

Density：

1.161 g/cm³ @ Temp: 20 °C

Melting Point：

23 °C

Boiling Point：

120-130 °C @ Press: 25 Torr

Flash Point：

82.2±0.0 °C

Refractive Index：

1.465

Water Solubility：

Insoluble in water.

Safety Information

Transport codes：

UN 3335 9

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36/37-S37/39

RTECS Number：

GW1225000

Marks：

Xi:Irritant;

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 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-chlorocyclohexanone

2-Chlorocyclohexanone Use and Manufacturing

Manufacturing Info：

Cyclohexanone, 2-chloro-: ACTIVE

Computed Properties

Molecular Weight:132.59
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Exact Mass:132.0341926
Monoisotopic Mass:132.0341926
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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2-Chlorocyclohexanone

CAS No.: 822-87-7

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