1-Cyclohexen-1-ylacetonitrile

Basic Information

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CAS Number

6975-71-9

Molecular Formula

C8H11N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

144 °C/90 mmHg

Density

0.947 g/mL at 25 °C

Refractive Index

n20/D 1.478(lit.)

SMILES

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C1CCC(=CC1)CC#N

InChI

InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2

InChIKey

OYEXEQFKIPJKJK-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

159

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

FT-0636324
1-Cyclohexen-1-ylacetonitrile
EINECS 230-235-6
Z1150307002
N11908
Cyclohex-1-en-1-ylacetonitrile
NSC21642
MFCD00001566
EN300-72661
2-(1-cyclohexenyl)-acetonitrile
DTXSID1064536
6975-71-9
NS00036948
cyclohex-1-enyl-acetonitrile
W-104593
F7P4K7ULM7
SCHEMBL1003717
NSC-21642
CS-0204899
2-(cyclohexen-1-yl)acetonitrile
1-Cyclohexenylacetonitrile
1-Cyclohexene-1-acetonitrile
AB00143
AI3-04979
2-Cyclohexenylacetonitrile
NSC 21642
1-Cyclohexenylacetonitrile, 92%
2-(cyclohex-1-en-1-yl)acetonitrile
1-cyclohexenacetonitrile
UNII-F7P4K7ULM7
InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H

MDL Number

MFCD00001566

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 1-Cyclohexen-1-ylacetonitrile (CAS: 6975-71-9)?

1-Cyclohexen-1-ylacetonitrile is a colorless to pale yellow liquid with a molecular weight of approximately 142.21 g/mol. It has a melting point of -55°C and a boiling point of 112°C. This compound is slightly soluble in water but miscible with most organic solvents. It is moderately reactive, especially towards nucleophiles and can undergo hydrolysis and nitrile hydrolysis under certain conditions.

How is 1-Cyclohexen-1-ylacetonitrile (CAS: 6975-71-9) typically synthesized?

1-Cyclohexen-1-ylacetonitrile can be synthesized by the reaction of cyclohexanone with sodium hydroxide followed by acetonitrile. The reaction involves the formation of the oxime intermediate, which is then reduced to the final product. Catalysts such as sodium methoxide are commonly used to increase the yield and selectivity of the reaction.

What industries use 1-Cyclohexen-1-ylacetonitrile (CAS: 6975-71-9)?

1-Cyclohexen-1-ylacetonitrile finds applications in the pharmaceutical industry for the synthesis of various organic compounds, in the polymer industry for the modification of polymers, in the sensor industry for gas detection, and in the semiconductor industry for the production of electronic materials. It is also used as a precursor in the production of other chemical intermediates.

What precautions should be taken when handling 1-Cyclohexen-1-ylacetonitrile (CAS: 6975-71-9)?

When handling 1-Cyclohexen-1-ylacetonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or in a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be properly ventilated. Safety data sheets (SDS) should be consulted for detailed information on handling and storage recommendations.