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2-NITROCYCLOHEXANONE

2-NITROCYCLOHEXANONE structure

CAS No:
4883-67-4
Formula:
C6H9NO3
Chemical Name:
2-NITROCYCLOHEXANONE
Synonyms:
2-NITROCYCLOHEXANONE;2-Nitrocyclohexan-1-one;2-Nitrocyclohexanone99%;alpha-Nitrocyclohexanone;Cyclohexanone,2-nitro-(6CI,7CI,8CI,9CI)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-NITROCYCLOHEXANONE Basic Attributes

Molecular Weight：

143.142

Exact Mass：

143.058243

DSSTox ID：

DTXSID50334589

HScode：

2914700090

Characteristics

PSA：

62.9

XLogP3：

0.17

Density：

1.2±0.1 g/cm3

Melting Point：

39-43ºC(lit.)

Boiling Point：

272.7±29.0 °C at 760 mmHg

Flash Point：

135.6±17.1 °C

Refractive Index：

1.480

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22;R36

safety instructions：

S26

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, 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-nitrocyclohexanone

Computed Properties

Molecular Weight:143.14
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Exact Mass:143.058243149
Monoisotopic Mass:143.058243149
Topological Polar Surface Area:62.9
Heavy Atom Count:10
Complexity:161
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes