1-Phenylcyclopentanecarbonitrile

Basic Information

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CAS Number

77-57-6

Molecular Formula

C12H13N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

108°C/0.8mmHg

Density

1.03

Flash Point

113.5°C

Refractive Index

1.5325-1.5345

SMILES

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C1CCC(C1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

InChIKey

GDXMFFGTPGAGGX-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

211

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1-phenylcyclopentane-1-carbonitrile
DTXSID60227812
NSC 18928
CS-0063995
Q-103441
H4L4UA4Y3J
77-57-6
P2146
SCHEMBL56575
InChI=1/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
Cyclopentanecarbonitrile, 1-phenyl-
UNII-H4L4UA4Y3J
1-Phenylcyclopentanecarbonitrile
BB 0245829
phenylcyclopentane carbonitrile
GDXMFFGTPGAGGX-UHFFFAOYSA-
FS-4984
1-Phenylcyclopentanenitrile
NSC18928
BCP16720
1-Phenyl-cyclopentanecarbonitrile
EINECS 201-038-2
NSC-18928
AM20041149
MFCD00001358
EN300-67607
1-Phenyl-1-cyclopentanecarbonitrile
FT-0651314
AKOS000111643
1-Phenylcyclopentanecarbo
1-Cyano-1-phenylcyclopentane

MDL Number

MFCD00001358

Customs Code

29269095

FAQ

What are the physical and chemical properties of 1-Phenylcyclopentanecarbonitrile (CAS: 77-57-6)?

1-Phenylcyclopentanecarbonitrile is a colorless to light yellow crystalline solid with a molecular weight of approximately 152.18 g/mol. It is slightly soluble in water but miscible with organic solvents like ethanol and acetone. Chemically, it is stable under normal conditions but reacts with strong bases to form phenylcyclopentane. It has a melting point of 64-66°C and a boiling point of 259°C. This compound is used in various applications due to its chemical stability and reactivity.

How is 1-Phenylcyclopentanecarbonitrile (CAS: 77-57-6) typically synthesized?

1-Phenylcyclopentanecarbonitrile is typically synthesized by the reaction of phenylcyclopentane with hydrogen cyanide. Commonly, this reaction is conducted in the presence of a catalyst like palladium on carbon under pressure. The yield is generally high, and the product can be isolated by simple distillation. The reaction conditions include a temperature range of 50-60°C and a pressure of 2-3 atm. This method ensures high selectivity and purity of the product.

What industries use 1-Phenylcyclopentanecarbonitrile (CAS: 77-57-6)?

1-Phenylcyclopentanecarbonitrile is used in various industries. It is primarily used in the pharmaceutical industry as a precursor for synthesizing drugs. In the polymer industry, it serves as a monomer for producing certain types of plastics. Additionally, it is employed in the electronics industry for the fabrication of semiconductors and sensors. Its unique chemical properties make it a valuable intermediate in these applications.

What precautions should be taken when handling 1-Phenylcyclopentanecarbonitrile (CAS: 77-57-6)?

When handling 1-Phenylcyclopentanecarbonitrile, it is essential to follow strict safety protocols. Wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of the compound. Spills should be cleaned up immediately with appropriate absorbent materials. In case of skin contact, thoroughly wash the affected area with soap and water. For detailed safety information, refer to the Safety Data Sheet (SDS) for this compound.