4-Cyanophenyl 4-ethylbenzoate

Basic Information

View in Editor

CAS Number

56131-48-7

Molecular Formula

C16H13NO2

Molecular Weight

240.3 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

SMILES

View in Editor

CCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13NO2/c1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15/h3-10H,2H2,1H3

InChIKey

ULFIAHFQEURGOU-UHFFFAOYSA-N

LogP

3.776620000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

341

Synonyms & References

English

A830928
4-CYANOPHENYL-4-ETHYLBENZOATE
4-Cyanophenyl 4-ethylbenzoate #
4-cyano-4-ethyl-2-phenyl-cyclohexa-1,5-diene-1-carboxylate
56131-48-7
(4-cyanophenyl) 4-ethylbenzoate
EU-0066722
Benzoic acid, 4-ethyl-, 4-cyanophenyl ester
NCGC00172564-01
4-Ethylbenzoic acid, 4-cyanophenyl ester
BRD-K62342011-001-01-1
DTXSID80342672
4-Cyanophenyl4-ethylbenzoate
AS-83579
SCHEMBL4650752
ME2N
ULFIAHFQEURGOU-UHFFFAOYSA-N
4-ethylbenzoic acid-4'-cyanophenol ester
IDI1_019413
FT-0651744
4-Cyanophenyl 4-ethylbenzoate
ChemDiv3_000095
SR-01000388904
SB66649
AKOS001584259
4-cyanophenyl-4'-ethylbenzoate
SR-01000388904-1
Oprea1_744662
2-(4-cyanophenyl)-4-ethylbenzoate
4-Ethylbenzoic acid-4'-cyanophenyl ester
4-Cyanophenyl 4-ethyl-benzoate

MDL Number

MFCD00429470

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-Cyanophenyl 4-ethylbenzoate (CAS: 56131-48-7)?

4-Cyanophenyl 4-ethylbenzoate (CAS: 56131-48-7) is a solid with a crystalline form. It has a molecular weight of approximately 247.24 g/mol. The compound has low water solubility but is soluble in organic solvents like ethanol and acetone. It is moderately reactive towards nucleophiles, making it useful in organic synthesis. The compound is stable under normal conditions but should be stored in a cool, dark place to prevent photodegradation.

How is 4-Cyanophenyl 4-ethylbenzoate (CAS: 56131-48-7) typically synthesized?

4-Cyanophenyl 4-ethylbenzoate can be synthesized via the acylation of 4-ethylbenzoic acid with a cyanophenyl derivative, such as 4-cyanophenyl isocyanate, in the presence of a suitable catalyst. This process typically involves heating and stirring the reactants under an inert atmosphere. The reaction yields a pure product with high selectivity and yield, making it a reliable method for the synthesis of this compound.

What industries use 4-Cyanophenyl 4-ethylbenzoate (CAS: 56131-48-7)?

4-Cyanophenyl 4-ethylbenzoate (CAS: 56131-48-7) is primarily used in the pharmaceutical industry for the development of certain drug molecules. It also finds applications in the synthesis of polymers and sensors. The compound is less common in semiconductor manufacturing but has potential uses in advanced materials due to its unique chemical structure.

What precautions should be taken when handling 4-Cyanophenyl 4-ethylbenzoate (CAS: 56131-48-7)?

When handling 4-Cyanophenyl 4-ethylbenzoate (CAS: 56131-48-7), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. In the event of a spill, handle it carefully to avoid skin contact and ensure proper disposal according to safety data sheet (SDS) guidelines. It is also crucial to refer to the SDS for detailed safety information.