4883-67-4

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4883-67-4 Structure

Identification	Back 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 Properties	Back 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 Data	Back Directory
[Symbol(GHS) ] 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 Information	Back 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 Detail	Back 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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