4'-Cyano-4-biphenylyl 4-pentylbenzoate

Basic Information

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CAS Number

59443-80-0

Molecular Formula

C25H23NO2

Molecular Weight

369.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

544.359°C at 760 mmHg

Density

1.15

SMILES

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CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H23NO2/c1-2-3-4-5-19-6-12-23(13-7-19)25(27)28-24-16-14-22(15-17-24)21-10-8-20(18-26)9-11-21/h6-17H,2-5H2,1H3

InChIKey

IJKLNWDDXMHCFX-UHFFFAOYSA-N

LogP

6.17718

Complexity

512

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

SCHEMBL13063999
DTXSID50676916
A832323
4'-Cyano-[1,1'-biphenyl]-4-yl 4-pentylbenzoate
C25H23NO2
4-Cyanobiphenyl 4'-pentylbenzoate
MFCD00482612
SB66871
[4-(4-cyanophenyl)phenyl] 4-pentylbenzoate
4-Cyanobiphenyl-4'-pentylbenzoate
59443-80-0
4'-Cyano-[1,1'-biphenyl]-4-yl4-pentylbenzoate
AKOS015917873
4-Cyanobiphenyl-4-n-pentylbenzoate
FT-0724505
DS-11803
4'-Cyano[1,1'-biphenyl]-4-yl 4-pentylbenzoate
4-Pentyl-benzoic acid 4'-cyano-biphenyl-4-yl ester
CS-0061489
4-Pentylbenzoic acid 4'-cyano[1,1'-biphenyl]-4-yl ester
4'-Cyano-4-biphenylyl 4-n-pentylbenzoate
I14-9088
AK325953
443C800
4-Pentylbenzoic acid 4'-cyanobiphenyl-4-yl ester
4-pe

MDL Number

MFCD00482612

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4'-Cyano-4-biphenylyl 4-pentylbenzoate (CAS: 59443-80-0)?

4'-Cyano-4-biphenylyl 4-pentylbenzoate (CAS: 59443-80-0) is a white crystalline solid with a molecular weight of approximately 368.38 g/mol. It has a low solubility in water but good solubility in organic solvents like dichloromethane and toluene. This compound is relatively stable under normal conditions but can react with strong oxidizing agents. It is insoluble in strong acids and bases but can undergo substitution reactions under specific conditions.

How is 4'-Cyano-4-biphenylyl 4-pentylbenzoate (CAS: 59443-80-0) typically synthesized?

4'-Cyano-4-biphenylyl 4-pentylbenzoate (CAS: 59443-80-0) is typically synthesized through a two-step process. Firstly, 4-biphenylyl 4-pentylbenzoate is prepared by esterification of pentylbenzoic acid with 4-biphenylol. Secondly, the cyanation of the phenolic hydroxyl group is achieved using sodium cyanide in the presence of a base like sodium hydroxide. The reaction yields a high purity product with good selectivity and yield.

What industries use 4'-Cyano-4-biphenylyl 4-pentylbenzoate (CAS: 59443-80-0)?

4'-Cyano-4-biphenylyl 4-pentylbenzoate (CAS: 59443-80-0) is used in the pharmaceutical industry for the synthesis of certain compounds due to its chemical functionality. It also finds applications in the polymer industry for modifying the properties of polymers. Additionally, it can be used in sensor technology and semiconductor fabrication processes, although these uses are more specialized and niche.

What precautions should be taken when handling 4'-Cyano-4-biphenylyl 4-pentylbenzoate (CAS: 59443-80-0)?

When handling 4'-Cyano-4-biphenylyl 4-pentylbenzoate (CAS: 59443-80-0), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The material should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled with proper absorbent materials, and the area should be cleaned with appropriate solvents. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.