4-Acetylbenzonitrile

Basic Information

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CAS Number

1443-80-7

Molecular Formula

C9H7NO

Molecular Weight

145.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

56.0 to 59.0 deg-C

Boiling Point

96°C/20mmHg

Water Solubility

Soluble in chloroform. Insoluble in water.

Flash Point

95-96℃/14mm

Refractive Index

1.4500 (estimate)

SMILES

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

InChI

InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3

InChIKey

NLPHXWGWBKZSJC-UHFFFAOYSA-N

LogP

1.76088

Complexity

193

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-Cyanophenyl methyl ketone
NS00024691
F1905-7162
InChI=1/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H
4-AcetYl-Benzonitrile
FT-0618294
A21002
4-acetyl benzonitrile
CS-W001929
4-acetylbenznitrile
Paracyanoacetophenone
para-cyanoacetophenone
4-Cyano acetophenone
4-Acetylbenzonitrile, 99%
CHEMBL255115
SCHEMBL163209
AM84403
P-CYANOACETOPHENONE
DTXSID10162668
AKOS000118782
1-Acetyl-4-benzonitrile
Benzonitrile, 4-acetyl-
Z56820417
Benzonitrile, p-acetyl-
Q63398019
SY012989
W-108156
4-Acetylbenzonitrile (4'-Cyanoacetophenone)
4'-Cyanoacetophenone
MFCD00001825
p-Acetylbenzonitrile

MDL Number

MFCD00001825

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-Acetylbenzonitrile (CAS: 1443-80-7)?

4-Acetylbenzonitrile (CAS: 1443-80-7) is a colorless to white crystalline solid with a molecular weight of 148.15 g/mol. It is slightly soluble in water but freely soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, showing some electrophilic character. It has a melting point of 53-55°C and a boiling point of 218°C.

How is 4-Acetylbenzonitrile (CAS: 1443-80-7) typically synthesized?

4-Acetylbenzonitrile (CAS: 1443-80-7) is commonly synthesized by acetylation of benzonitrile under acidic conditions. The reaction usually involves benzonitrile, acetic anhydride, and concentrated sulfuric acid as a catalyst. The yield is typically around 70-75% with good selectivity towards the acetylation product.

What industries use 4-Acetylbenzonitrile (CAS: 1443-80-7)?

4-Acetylbenzonitrile (CAS: 1443-80-7) is used in the pharmaceutical industry for the synthesis of certain drugs, as well as in the polymer industry for specific applications. It is also utilized in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-Acetylbenzonitrile (CAS: 1443-80-7)?

When handling 4-Acetylbenzonitrile (CAS: 1443-80-7), it is essential to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of spill, use appropriate laboratory safety procedures and refer to the Safety Data Sheet (SDS). Fume hoods should be used during handling to minimize exposure.