4-(Cyanoacetyl)benzonitrile

Basic Information

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CAS Number

71292-11-0

Molecular Formula

C10H6N2O

Molecular Weight

17.03 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

126-129 ºC

Boiling Point

408.1°C at 760 mmHg

Density

1.21

Flash Point

200.6°C

Refractive Index

1.558

SMILES

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C1=CC(=CC=C1C#N)C(=O)CC#N

InChI

InChI=1S/C10H6N2O/c11-6-5-10(13)9-3-1-8(7-12)2-4-9/h1-4H,5H2

InChIKey

HFABIHFBLNTOOW-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

283

Synonyms & References

English

4-Cyanobenzoylacetonitrile
SCHEMBL2303848
CS-0317283
4-(2-Cyanoacetyl)Benzonitrile
HFABIHFBLNTOOW-UHFFFAOYSA-N
A9346
AKOS006285554
3Y-0811
FT-0604186
DTXSID40501809
71292-11-0
4-(2-cyanoacetyl)benzenecarbonitrile
MFCD07021383
4-(Cyanoacetyl)benzonitrile
4-(2-Cyanoacetyl)benzonitrile
Benzenepropanenitrile,4-cyano-b-oxo-
(4-Cyanobenzoyl)acetonitrile
4-(cyanoacetyl)benzonitrile
AG-G-79100
CTK5D3816
p-Cyano-ω-cyanoacetophenon
PubChem11993
SureCN2303848

MDL Number

MFCD07021383

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 4-(Cyanoacetyl)benzonitrile (CAS: 71292-11-0)?

4-(Cyanoacetyl)benzonitrile (CAS: 71292-11-0) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the EU, and FDA and EPA regulations in the United States. It must be classified as a hazardous substance based on its properties such as flammability, toxicity, and reactivity. Companies handling this compound must comply with specific safety data sheets (SDS) and workplace safety standards.

Are there alternatives to 4-(Cyanoacetyl)benzonitrile (CAS: 71292-11-0) in synthesis?

Alternatives to 4-(Cyanoacetyl)benzonitrile include other nitriles and cyanoacetyl derivatives. Common substitutes include 2-cyanobenzonitrile and other cyanoacetic acid derivatives. These alternatives can serve similar functional groups in various syntheses and are often chosen based on reactivity, availability, and cost.

What is the market or research trend for 4-(Cyanoacetyl)benzonitrile (CAS: 71292-11-0)?

The market for 4-(Cyanoacetyl)benzonitrile (CAS: 71292-11-0) is growing due to its use in pharmaceuticals and agrochemicals. Research trends focus on developing more efficient synthesis methods and exploring its potential in new applications such as functional materials and biocides. Demand is expected to rise with increasing industrial and pharmaceutical applications.

How should waste containing 4-(Cyanoacetyl)benzonitrile (CAS: 71292-11-0) be handled?

Waste containing 4-(Cyanoacetyl)benzonitrile (CAS: 71292-11-0) should be collected in leak-proof containers and disposed of according to local regulations. Incineration is a common method, but professional waste disposal services are recommended. Proper precautions include wearing appropriate PPE, ensuring adequate ventilation, and following all safety protocols to prevent environmental contamination.