ChemicalBook--->CAS DataBase List--->4883-67-4

4883-67-4

4883-67-4 Structure

4883-67-4 Structure
IdentificationBack Directory
[Name]

2-NITROCYCLOHEXANONE
[CAS]

4883-67-4
[Synonyms]

2-NITROCYCLOHEXANONE
2-Nitrocyclohexan-1-one
2-Nitrocyclohexanone 99%
alpha-Nitrocyclohexanone
Cyclohexanone, 2-nitro- (6CI, 7CI, 8CI, 9CI)
[EINECS(EC#)]

218-362-5
[Molecular Formula]

C6H9NO3
[MDL Number]

MFCD00001627
[MOL File]

4883-67-4.mol
[Molecular Weight]

143.14
Chemical PropertiesBack Directory
[Melting point ]

39-43 °C(lit.)
[Boiling point ]

84-86 °C(Press: 0.4 Torr)
[density ]

1.19±0.1 g/cm3(Predicted)
[Fp ]

>230 °F
[form ]

solid
[pka]

5.84±0.20(Predicted)
[InChI]

InChI=1S/C6H9NO3/c8-6-4-2-1-3-5(6)7(9)10/h5H,1-4H2
[InChIKey]

SZNILIWUUKKNPE-UHFFFAOYSA-N
[SMILES]

C1(=O)CCCCC1[N+]([O-])=O
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

22-36
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2914790090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

The tautomerization rates of 2-nitrocyclohexanone (2-NCH) has been studied spectrophotometrically in several organic aprotic solvents and their binary mixtures.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 31, p. 357, 1966 DOI: 10.1021/jo01340a002
Tetrahedron Letters, 36, p. 7149, 1995 DOI: 10.1016/0040-4039(95)01421-D
[General Description]

The tautomerization rates of 2-nitrocyclohexanone (2-NCH) has been studied spectrophotometrically in several organic aprotic solvents and their binary mixtures.
Spectrum DetailBack Directory
[Spectrum Detail]

2-NITROCYCLOHEXANONE(4883-67-4)1HNMR
2-NITROCYCLOHEXANONE(4883-67-4)IR
2-NITROCYCLOHEXANONE(4883-67-4)FT-IR
2-NITROCYCLOHEXANONE(4883-67-4)Raman
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