Cyclopentanecarbonitrile

Basic Information

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CAS Number

4254-02-8

Molecular Formula

C6H9N

Molecular Weight

84.16 g/mol

EINECS

224-229-2

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

−76 °C

Boiling Point

168°C

Density

0.912 g/mL at 25 °C

Solubility

Miscible with toluene.

Refractive Index

n20/D 1.441(lit.)

SMILES

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C1CCC(C1)C#N

InChI

InChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h6H,1-4H2

InChIKey

SVPZJHKVRMRREG-UHFFFAOYSA-N

LogP

2.1965000000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

Safety Information

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GHS Hazard Pictograms

H226

H301

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Cyclopentyl cyanide
EINECS 224-229-2
EN300-49542
MFCD00013741
SVPZJHKVRMRREG-UHFFFAOYSA-N
Cyclopentanecarbonitrile, 98%
Cyanocyclopentane
cyclopentankohlenitrile
Cyclopentanenitrile
cyclopentane carbonitrile
F8889-9307
1-Cyanocyclopentane
K6Y8BG5QK2
C3167
AKOS000157568
Cyclopentanecarbonitrile
Z285131394
InChI=1/C6H9N/c7-5-6-3-1-2-4-6/h6H,1-4H
4254-02-8
NS00031209
Cyclopentyl Nitrile
DTXSID70195331
FT-0665276
Cyclopentyl nitrile
Cyclopentyl Cyanide
TIMTEC-BB SBB008886
CYANOCYCLOPENTANE
CYCLOPENTYL CYANIDE
CYCLOPENTANECARBONITRILE
Cyanocyclopentane, Cyclopentyl cyanide
Cyclopentanecarbonitrile,98%

MDL Number

MFCD00013741

EC Number

224-229-2

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Cyclopentanecarbonitrile (CAS: 4254-02-8)?

Cyclopentanecarbonitrile (CAS: 4254-02-8) is a colorless liquid with a molecular weight of approximately 115.11 g/mol. It has a high boiling point of 197°C and a low melting point of -27°C. The compound is slightly soluble in water but miscible with common organic solvents. It is moderately reactive, especially with nucleophiles and bases, and it can undergo addition reactions and hydrolysis.

How is Cyclopentanecarbonitrile (CAS: 4254-02-8) typically synthesized?

Cyclopentanecarbonitrile (CAS: 4254-02-8) is typically synthesized by the addition of carbonitrile to cyclopentene in the presence of a metal catalyst, such as palladium or nickel. The reaction is carried out under mild conditions, and the yield can be quite high, with selectivity typically in favor of the carbonitrile product.

What industries use Cyclopentanecarbonitrile (CAS: 4254-02-8)?

Cyclopentanecarbonitrile (CAS: 4254-02-8) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drug molecules. It is also used in the synthesis of polymers, particularly in the development of polyurethane precursors. Additionally, it finds applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Cyclopentanecarbonitrile (CAS: 4254-02-8)?

When handling Cyclopentanecarbonitrile (CAS: 4254-02-8), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up promptly with appropriate absorbents, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.