ChemicalBook--->CAS DataBase List--->100-45-8

100-45-8

100-45-8 Structure

100-45-8 Structure
IdentificationMore
[Name]

4-CYANO-1-CYCLOHEXENE
[CAS]

100-45-8
[Synonyms]

1,2,3,6-TETRAHYDROBENZONITRILE
1,2,5,6-TETRAHYDROBENZONITRILE
3-CYCLOHEXENE-1-CARBONITRILE
3-CYCLOHEXENE-1-CARBOXYLIC ACID NITRILE
3-CYCLOHEXENE CARBONITRILE
3-Cyclohexenecyanide
4-CYANO-1-CYCLOHEXENE
4-CYANOCYCLOHEXENE
4-CYANOCYCLOHEXENE-1
TIMTEC-BB SBB007998
1-Cyano-3-cyclohexene
3-Cyclohexenyl cyanide
3-cyclohexenylcyanide
3-Cyklohexenylkyanid
cyclohex-3-enenitrile
Tetrahydrobenzonitrile
3-CYANOCYCLOHEXENE
1-CYANO-1-CYLCOHEXENE
4-CYANO-1-CYCLOHEXENE 95+%
1,2,5,6-TETRAHYDROBENZONITRILE 97%
[Molecular Formula]

C7H9N
[MDL Number]

MFCD00013778
[Molecular Weight]

107.15
[MOL File]

100-45-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

60°C 0,7mm
[density ]

0,96 g/cm3
[refractive index ]

1.4720-1.4750
[Fp ]

65°C
[storage temp. ]

Sealed in dry,Room Temperature
[Water Solubility ]

Insoluble in water
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[InChI]

InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2
[InChIKey]

GYBNBQFUPDFFQX-UHFFFAOYSA-N
[SMILES]

C1(C#N)CCC=CC1
[CAS DataBase Reference]

100-45-8(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3276
[RTECS ]

GW2625000
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-cyclohexenecyanide(100-45-8).msds
Hazard InformationBack Directory
[Uses]

4-Cyano-1-cyclohexene is a synthetic intermediate compound containing a cyano and unsaturated cyclohexene ring with a cyano functional group that can undergo a variety of chemical reactions (e.g., reduction or nucleophilic addition) and is used as an intermediate in the synthesis of more complex organic molecules, in the development of pharmaceutical preparations, and in novel optical or electronic materials.
[Solubility in organics]

Soluble in methanol
Spectrum DetailBack Directory
[Spectrum Detail]

4-CYANO-1-CYCLOHEXENE(100-45-8)1HNMR
4-CYANO-1-CYCLOHEXENE(100-45-8)IR1
4-CYANO-1-CYCLOHEXENE(100-45-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

100-45-8(sigmaaldrich)
[TCI AMERICA]

4-Cyano-1-cyclohexene,>95.0%(GC)(100-45-8)
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100-45-8 1855-63-6 110-83-8 6975-71-9 95-11-4