2-(4-Chlorophenyl)-3-oxopropanenitrile

Basic Information

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CAS Number

62538-21-0

Molecular Formula

C9H6ClNO

Molecular Weight

168.62 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

157 ºC

SMILES

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

InChI

InChI=1S/C9H6ClNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,6,8H

InChIKey

DAEXXSXAEMFPHQ-UHFFFAOYSA-N

LogP

2.642400000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

200

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(4-Chlorophenyl)-2-formylacetonitrile
2-(4-Chlorophenyl)-3-oxopropionitrile
BRN 0743641
ACETONITRILE, 2-(p-CHLOROPHENYL)-2-FORMYL-
AKOS016048278
62538-21-0
2-(4-CHLOROPHENYL)-2-CYANOACETALDEHYDE
CS-0199188
E78088
2-(4-chlorophenyl)-3-oxopropanenitrile
alpha-Formyl-p-chlorophenylacetonitrile
Benzeneacetonitrile, 4-chloro-.alpha.-formyl-
USAF EL-67
2-formyl-2-(4-chlorophenyl) acetonitrile
AKOS002658066
DTXSID50978129
FT-0608624
SCHEMBL2542920
3-10-00-03025 (Beilstein Handbook Reference)
2-(4-Chlorophenyl)-2-cyanoacetaldehyde, 95%
A25606
MFCD00052669
2-(4-Chlorophenyl)-3-oxopropanenitrile
2-(4-Chlorophenyl)-2-cyanoacetaldehyde

MDL Number

MFCD00052669

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 62538-21-0)?

2-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 62538-21-0) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous chemical. In the European Union, it falls under the REACH regulations, requiring manufacturers and importers to register the substance with the European Chemicals Agency (ECHA). The FDA and EPA may also have specific requirements for its handling and use in the U.S., including documentation, labeling, and environmental protection measures.

Are there alternatives to 2-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 62538-21-0) in synthesis?

There are several alternatives to 2-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 62538-21-0) in synthesis, depending on desired properties and reaction conditions. Some common substitutes include 2-(3-chlorophenyl)-3-oxopropanenitrile, 2-(4-fluorophenyl)-3-oxopropanenitrile, and 2-(phenyl)-3-oxopropanenitrile. Researchers often explore these alternatives to find the most effective and cost-efficient reagents for their specific applications.

What is the market or research trend for 2-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 62538-21-0)?

The market for 2-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 62538-21-0) is driven by its use in pharmaceuticals, pesticides, and fine chemicals. Recent research trends focus on exploring its applications in medicinal chemistry and developing new synthetic routes for improved efficiency and reduced environmental impact. The trend towards greener chemistry and sustainable manufacturing processes is also influencing the use of this compound in various industries.

How should waste containing 2-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 62538-21-0) be handled?

Waste containing 2-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 62538-21-0) should be collected in appropriate containers and stored under controlled conditions to prevent contamination. It should be neutralized if necessary and then disposed of through incineration or professional waste disposal services. Environmental precautions include ensuring that waste does not enter waterways or soil and that all handlers follow safety protocols to avoid exposure. Adherence to local and international regulations for hazardous waste management is crucial.