3-(4-Methylphenyl)-3-oxopropanenitrile

Basic Information

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CAS Number

7391-28-8

Molecular Formula

C10H9NO

Molecular Weight

159.18 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

105-108 °C

Boiling Point

284.68°C (rough estimate)

Density

1.1202 (rough estimate)

Flash Point

146.2°C

Refractive Index

1.6130 (estimate)

SMILES

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CC1=CC=C(C=C1)C(=O)CC#N

InChI

InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3

InChIKey

AIECDYDQPCANJK-UHFFFAOYSA-N

LogP

2.587720000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

205

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

A9510
4-Toluoylacetonitrile, 97%
Benzenepropanenitrile,4-methyl-b-oxo-
AMY2039
SR-01000640987-1
AS-60624
3-(4-Methylphenyl)-3-oxopropanenitrile
3-(4-Methylphenyl)-3-oxopropionitrile
SCHEMBL135383
W18726
MFCD00067895
HMS554O06
7391-28-8
AKOS000197381
3-(4-Methyl-phenyl)-3-oxo-propionitrile
DTXSID60334974
EN300-41326
3-oxo-3-(4-methylphenyl)propanenitrile
CCG-51701
3-(4-Methylphenyl)-3-oxopropanenitrile #
BP-12902
4-Toluoylacetonitrile
FT-0604218
3-oxo-3-p-tolylpropanenitrile
3-Oxo-3-(p-tolyl)propanenitrile
3-oxo-3-p-tolyl-propionitrile
Maybridge1_004714
CS-0113013
3-oxo-3-(p-tolyl)-propionitrile
Z317042080
STL196554

MDL Number

MFCD00067895

Customs Code

2926909090

FAQ

What is 3-(4-Methylphenyl)-3-oxopropanenitrile (CAS: 7391-28-8)?

3-(4-Methylphenyl)-3-oxopropanenitrile (CAS: 7391-28-8) is a colorless liquid with a molecular formula of C9H10N. It is characterized by its pungent odor and is commonly used in the synthesis of pharmaceuticals and as a precursor in organic chemistry.

What are the main uses of 3-(4-Methylphenyl)-3-oxopropanenitrile (CAS: 7391-28-8)?

3-(4-Methylphenyl)-3-oxopropanenitrile (CAS: 7391-28-8) is primarily used as an intermediate in the synthesis of pharmaceuticals, particularly in the production of analgesics and antipyretics. It is also utilized in organic synthesis and as a reagent in various chemical reactions.

Is 3-(4-Methylphenyl)-3-oxopropanenitrile (CAS: 7391-28-8) safe?

3-(4-Methylphenyl)-3-oxopropanenitrile (CAS: 7391-28-8) is generally safe when handled with appropriate precautions. However, it should be used in a well-ventilated area and protective equipment such as gloves and goggles should be worn to avoid skin and eye contact. Additionally, it should be stored away from sources of ignition and incompatible materials.

How should 3-(4-Methylphenyl)-3-oxopropanenitrile (CAS: 7391-28-8) be stored?

3-(4-Methylphenyl)-3-oxopropanenitrile (CAS: 7391-28-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage area should be well-ventilated and free from sources of ignition and incompatible materials.