ChemicalBook--->CAS DataBase List--->766-05-2

766-05-2

766-05-2 Structure

766-05-2 Structure
IdentificationMore
[Name]

Cyclohexanecarbonitrile
[CAS]

766-05-2
[Synonyms]

CYANOCYCLOHEXANE
CYCLOHEXANECARBONITRILE
cyclohexyl cyanide
HEXAHYDROBENZONITRILE
TIMTEC-BB SBB008404
Cyclohexanecarboxylic acid nitrile
cyclohexanecarboxylicacidnitrite
hexahydrobenzonitril
Cyclohexanecarbonitrile99%
CYCLOHEXANECARBONTRILE
CYCLOHEXANECARBONTTRILE
1-Cyclohexanecarbonitrile
[EINECS(EC#)]

212-157-4
[Molecular Formula]

C7H11N
[MDL Number]

MFCD00040444
[Molecular Weight]

109.17
[MOL File]

766-05-2.mol
Chemical PropertiesBack Directory
[Melting point ]

11 °C (lit.)
[Boiling point ]

75-76 °C/16 mmHg (lit.)
[density ]

0.919 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.4505(lit.)
[Fp ]

149 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

liquid
[color ]

Colourless
[Henry's Law Constant]

7.3×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
[InChI]

1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
[InChIKey]

VBWIZSYFQSOUFQ-UHFFFAOYSA-N
[SMILES]

N#CC1CCCCC1
[CAS DataBase Reference]

766-05-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Cyclohexanecarbonitrile(766-05-2)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R24/25:Toxic in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 3276 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

GU7280000
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

[HS Code ]

2926907090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

Cyclohexanecarbonitrile was used as model substrate in rhodium-catalyzed direct ortho-arylation reactions of phenylazoles using arylboron reagents. It was used as probe in the synthesis of an asymmetric, C-magnesiated nitrile.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 93, p. 4318, 1971 DOI: 10.1021/ja00746a052
Tetrahedron Letters, 25, p. 3301, 1984 DOI: 10.1016/S0040-4039(01)81369-1
The Journal of Organic Chemistry, 54, p. 4476, 1989 DOI: 10.1021/jo00279a047
Spectrum DetailBack Directory
[Spectrum Detail]

Cyclohexanecarbonitrile(766-05-2)1HNMR
Cyclohexanecarbonitrile(766-05-2)IR
Cyclohexanecarbonitrile(766-05-2)FT-IR
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