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1123-97-3

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1123-97-3 Structure

1123-97-3 Structure
IdentificationBack Directory
[Name]

CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE
[CAS]

1123-97-3
[Synonyms]

hexahydro-2-benzimidazolinon
hexahydro-2-benzimidazolinone
octahydro-2h-benzimidazol-2-on
Octahydro-2H-benzimidazol-2-one
2H-Benzimidazol-2-one, octahydro-
cis-Octahydro-2H-benzimidazol-2-one 99%
hexahydro-1H-benzo[d]imidazol-2(3H)-one
[Molecular Formula]

C7H12N2O
[MDL Number]

MFCD00134315
[MOL File]

1123-97-3.mol
[Molecular Weight]

140.18
Chemical PropertiesBack Directory
[Melting point ]

149-152 °C(lit.)
[Boiling point ]

218-220 °C/14 mmHg(lit.)
[density ]

1.084±0.06 g/cm3(Predicted)
[pka]

14.16±0.20(Predicted)
[InChI]

1S/C7H12N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)/t5-,6+
[InChIKey]

RWIIUBCMPVZLBA-OLQVQODUSA-N
[SMILES]

[H][C@@]12CCCC[C@]1([H])NC(=O)N2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[RTECS ]

DE2110000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

cis-Octahydro-2H-benzimidazol-2-one may be used in the preparation of hemicyclohexyl-cucurbit[n]uril (hmcyCucn).
Spectrum DetailBack Directory
[Spectrum Detail]

CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE(1123-97-3)IR
CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE(1123-97-3)Raman
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