ChemicalBook--->CAS DataBase List--->42185-27-3

42185-27-3

42185-27-3 Structure

42185-27-3 Structure
IdentificationBack Directory
[Name]

(2-Oxocyclohexyl)acetonitrile
[CAS]

42185-27-3
[Synonyms]

2-Oxocyclohexaneacetonitrile
(2-Oxocyclohexyl)acetonitrile
Cyclohexaneacetonitrile, 2-oxo-
2-(2-oxocyclohexyl)acetonitrile(WX191527)
[Molecular Formula]

C8H11NO
[MOL File]

42185-27-3.mol
[Molecular Weight]

137.18
Chemical PropertiesBack Directory
[Melting point ]

25-26 °C
[Boiling point ]

137-139 °C(Press: 10 Torr)
[density ]

1.024±0.06 g/cm3(Predicted)
[InChI]

InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-5H2
[InChIKey]

NDKUZEVDMZDUGK-UHFFFAOYSA-N
[SMILES]

C1(CC#N)CCCCC1=O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H311-H331
[Precautionary statements ]

P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Spectrum DetailBack Directory
[Spectrum Detail]

(2-Oxocyclohexyl)acetonitrile(42185-27-3)1HNMR
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