cyclohexanecarbonitrile

Basic Information

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CAS Number

766-05-2

Molecular Formula

C7H11N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

11 °C

Boiling Point

75-76 °C/16 mmHg

Density

0.919 g/mL at 25 °C

Refractive Index

n20/D 1.4505(lit.)

SMILES

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C1CCC(CC1)C#N

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

103

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

CS-W019522
Hexahydrobenzonitril [German]
NSC 17557
SY104176
MFCD00040444
EC 212-157-4
766-05-2
NS00006704
EINECS 212-157-4
Cyclohexanecarbonitrile
InChI=1/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H
Z210803886
AM20070512
Hexahydrobenzonitrile
Cyclohexanecarboxylic acid nitrite
Cyclohexanecarboxylic acid nitrile
NSC17557
AKOS000121155
W-104354
FT-0624132
Cyclohexyl cyanide
EN300-25514
cyclohexane-carbonitrile
PB47811
Cyclohexanecarbonitrile, 98%
Hexahydrobenzonitril
F14026
NSC-17557
SCHEMBL30152
STR07874
Cyanocyclohexane

MDL Number

MFCD00040444

FAQ

What are the physical and chemical properties of cyclohexanecarbonitrile (CAS: 766-05-2)?

Cyclohexanecarbonitrile (CAS: 766-05-2) is a colorless liquid with a molecular weight of approximately 119.14 g/mol. It has a high boiling point of 253-255°C and a low melting point of -33°C. Soluble in organic solvents such as ethanol and acetone. It is moderately reactive, showing亲电性 towards electrophilic substitution reactions and nucleophilic addition reactions.

How is cyclohexanecarbonitrile (CAS: 766-05-2) typically synthesized?

Cyclohexanecarbonitrile is typically synthesized by the addition of hydrogen cyanide to cyclohexene or cyclohexanone. The reaction is catalyzed by a heavy metal such as iron or copper, with a yield of up to 95%. Selectivity can be controlled by adjusting the reaction conditions, such as temperature and pressure.

What industries use cyclohexanecarbonitrile (CAS: 766-05-2)?

Cyclohexanecarbonitrile (CAS: 766-05-2) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers for making special plastics, and sensors for detecting specific chemical species. It is also used in the production of semiconductors and as a precursor in organic synthesis.

What precautions should be taken when handling cyclohexanecarbonitrile (CAS: 766-05-2)?

When handling cyclohexanecarbonitrile (CAS: 766-05-2), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.