N-(4-Chloro-2-methylphenyl)-3-oxobutanamide

Basic Information

View in Editor

CAS Number

20139-55-3

Molecular Formula

C11H12ClNO2

Molecular Weight

225.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

101.0 to 105.0 deg-C

Boiling Point

174°C (rough estimate)

Flash Point

189.9 °C

Refractive Index

1.5500 (estimate)

SMILES

View in Editor

CC1=C(C=CC(=C1)Cl)NC(=O)CC(=O)C

InChI

InChI=1S/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)

InChIKey

ODFRAIZRJMUPCP-UHFFFAOYSA-N

LogP

2.566020000000001

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

255

Safety Information

View Safety Information

GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Acetoacet-4-chloro-2-methylanilide
4'-Chloro-2'-methylacetoacetanilide
D89492
4'-Chloro-Ortho-Acetoacetotoluidide
N-(4-chloro-2-methylphenyl)-3-oxo-butanamide
Toluidide, 4'-chloro-O-acetoaceto-
MFCD00018493
AKOS000165412
n-(4-chloro-2-methylphenyl)-3-oxobutanamide
BRN 2731424
Butanamide, N-(4-chloro-2-methylphenyl)-3-oxo-
C2104
4-Chloro-2-methyl-N-acetoacetanilide
NSC 87579
o-Acetoacetotoluidide, 4'-chloro-
o-ACETOACETANISIDIDE, 4'-CHLORO-
CHEMBL4914623
ODFRAIZRJMUPCP-UHFFFAOYSA-
N-(4-Chloro-o-tolyl)acetoacetamide
NSC87579
EINECS 243-540-4
A814274
SR-01000227070
SCHEMBL8824873
DTXSID2051843
1-Acetoacetylamino-2-methyl-4-chlorobenzene
NS00026531
SR-01000227070-1
CS-0206648
FT-0637951
InChI=1/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)

MDL Number

MFCD00018493

Customs Code

2924299090

FAQ

What regulatory guidelines apply to N-(4-Chloro-2-methylphenyl)-3-oxobutanamide (CAS: 20139-55-3)?

N-(4-Chloro-2-methylphenyl)-3-oxobutanamide (CAS: 20139-55-3) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), requiring proper hazard communication including safety data sheets (SDS) and proper labelling. It is also subject to REACH regulations in the European Union, which require registration, assessment, and authorization for certain substances. In the United States, the FDA and EPA have relevant requirements for the handling and use of this compound, including environmental protection and safe disposal practices.

Are there alternatives to N-(4-Chloro-2-methylphenyl)-3-oxobutanamide in synthesis (CAS: 20139-55-3)?

There are several alternatives to N-(4-Chloro-2-methylphenyl)-3-oxobutanamide in synthesis, such as using different amides or other functional groups, depending on the specific synthetic route. Common alternatives include isomers like N-(4-Chloro-2-methylphenyl)-2-oxobutanamide, or using different reagents like chloroacetic acid or other carboxylic acids. These alternatives can offer similar reactivity but with different properties, making them suitable for specific applications.

What is the market or research trend for N-(4-Chloro-2-methylphenyl)-3-oxobutanamide (CAS: 20139-55-3)?

The market for N-(4-Chloro-2-methylphenyl)-3-oxobutanamide (CAS: 20139-55-3) is growing due to its applications in pharmaceuticals and other chemical industries. Research trends focus on its use as a precursor in drug synthesis and as an intermediate in the production of various organic compounds. Recent studies also explore its potential in biocatalysis and as a component in new materials. The demand is driven by its unique chemical properties, making it a valuable compound in both academia and industry.

How should waste containing N-(4-Chloro-2-methylphenyl)-3-oxobutanamide (CAS: 20139-55-3) be handled?

Waste containing N-(4-Chloro-2-methylphenyl)-3-oxobutanamide (CAS: 20139-55-3) should be collected and stored in appropriate containers to prevent spillage and ensure safety. Disposal should follow local and international regulations, often requiring professional handling. Incineration is a common method, but it must be done in an enclosed incinerator to minimize emissions. Environmental protection measures include proper containment to prevent water or soil contamination. Always consult local regulations and guidelines for specific disposal methods and procedures.