N-(3-chloro-2-methylphenyl)-3-oxobutanamide

Base Information

• Chemical Name: N-(3-chloro-2-methylphenyl)-3-oxobutanamide
• CAS No.: 20139-54-2
• Molecular Formula: C₁₁H₁₂ClNO₂
• Molecular Weight: 225.675
• Hs Code.: 2924299090
• European Community (EC) Number: 243-539-9
• NSC Number: 165873
• DSSTox Substance ID: DTXSID80942171
• Nikkaji Number: J153.415G
• Mol file: 20139-54-2.mol

Synonyms:N-(3-chloro-2-methylphenyl)-3-oxobutanamide;20139-54-2;Butanamide, N-(3-chloro-2-methylphenyl)-3-oxo-;3'-Chloro-ortho-acetoacetotoluidide;NSC165873;SCHEMBL11577296;DTXSID80942171;3'-Chloro-2'-methylacetoacetanilide;MFCD00135508;STL089908;AKOS000200023;NSC-165873;CS-0309321;EN300-17477;SR-01000510047;N-(3-Chloro-2-methylphenyl)-3-oxobutanimidic acid;SR-01000510047-1;Z56943557

Chemical Property of N-(3-chloro-2-methylphenyl)-3-oxobutanamide

Chemical Property:

• Vapor Pressure: 4.23E-06mmHg at 25°C
• Melting Point: 97-98 °C
• Boiling Point: 398.3°Cat760mmHg
• PKA: 11.00±0.46(Predicted)
• Flash Point: 194.7°C
• PSA: 46.17000
• Density: 1.247g/cm³
• LogP: 2.63900
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 225.0556563
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

N-(3-chloro-2-methylphenyl)-3-oxobutanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Cl)NC(=O)CC(=O)C