4-(3-Formylphenoxy)benzonitrile

Basic Information

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CAS Number

90178-72-6

Molecular Formula

C14H9NO2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Density

1.24±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (8.5E-3 g/L) (25 ºC),

SMILES

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

InChI

InChI=1S/C14H9NO2/c15-9-11-4-6-13(7-5-11)17-14-3-1-2-12(8-14)10-16/h1-8,10H

InChIKey

ZNFFJDNCDHKHEJ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

299

Synonyms & References

English

Benzonitrile, 4-(3-formylphenoxy)-
4-(3-formylphenoxy)benzonitrile
ZNFFJDNCDHKHEJ-UHFFFAOYSA-N
4-(3-Formyl-phenoxy)-benzonitrile
AK550299
4-(3-Formylphenoxy)benzonitrile (ACI)
DB-105932
MFCD11500847
90178-72-6
4-(3-Formylphenoxy)benzonitrile
AKOS009297069
BM2U2J9LKS
DTXSID50531091
DS-19532
SCHEMBL4104432
CS-0137363
UNII-BM2U2J9LKS
D83701

MDL Number

MFCD11500847

FAQ

What are the physical and chemical properties of 4-(3-Formylphenoxy)benzonitrile (CAS: 90178-72-6)?

4-(3-Formylphenoxy)benzonitrile is a white crystalline solid with a molecular weight of 234.19 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. The compound is known for its limited reactivity under normal conditions, but it can undergo condensation and electrophilic aromatic substitution reactions. It is insoluble in acetic acid and slightly soluble in benzene.

How is 4-(3-Formylphenoxy)benzonitrile (CAS: 90178-72-6) typically synthesized?

4-(3-Formylphenoxy)benzonitrile is typically synthesized via the reaction of 4-bromobenzonitrile with 3-formylphenol in the presence of a base such as potassium carbonate. The reaction is carried out in an inert solvent like dimethylformamide (DMF) at elevated temperatures to ensure high yield and selectivity. The product undergoes a condensation reaction forming the desired product with good yield.

What industries use 4-(3-Formylphenoxy)benzonitrile (CAS: 90178-72-6)?

4-(3-Formylphenoxy)benzonitrile is used in the pharmaceutical industry for the synthesis of certain drugs due to its functional groups that can participate in further modifications. It also has potential applications in the polymer industry for the development of new materials with specific properties. Additionally, it may be used in the production of sensors and semiconductors as a precursor or intermediate.

What precautions should be taken when handling 4-(3-Formylphenoxy)benzonitrile (CAS: 90178-72-6)?

Handling 4-(3-Formylphenoxy)benzonitrile requires appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.