N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
Basic information
- CAS
52793-11-0- Standard SMILES
COc1ccc(Cl)cc1NC(=O)CC(C)=O- InChIKey
HSGGSKCDDPPKMD-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0505709
Names & identifiers
- Preferred name
- N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
- IUPAC
- N-(5-chloro-2-methoxyphenyl)-3-oxobutanamide
- English name
- N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
- Molecular formula
- C11H12ClNO3
- Molecular weight
- 241.67
Names & synonyms
n-(5-chloro-2-methoxyphenyl)-3-oxobutanamide52793-11-0Butanamide, N-(5-chloro-2-methoxyphenyl)-3-oxo-UNII-Y11EJY685EY11EJY685EEINECS 258-189-2NSC 165882NSC-165882DTXSID6068806EC 258-189-2O-ACETOACETANISIDIDE, 5'-CHLORO-2-METHOXY-5-CHLOROACETOACETANILIDE
Show more names
ACETOACETIC-4-CHLORO-2-ANISIDIDE5′-Chlor-2′-methoxyacetoacetanilidN-Acetoacetyl-5-chloro-o-anisidine5'-CHLORO-ORTHO-ACETOACETANISIDIDE2-Methoxy-5-Chloro-AcetoacetanilideN-Acetoacetyl-5-chloro-2-methoxy-anilineN-(5-Chloro-2-methoxyphenyl)acetoacetamiden-(5-chloro-2-methoxyphenyl)-3-oxo-butanamid
5-CHLORO-2-METHOXYACETOACETANILIDERefChem:162232DTXCID3041295258-189-25'-Chloro-2'-methoxyacetoacetanilideNSC165882CBMicro_010213acetoacetic acid-(5-chloro-2-methoxy-anilide)
Database identifiers
- CAS
52793-11-0- PubChem CID
- 98791
- DTXSID
DTXSID6068806- ChEMBL
CHEMBL1339611- UNII
- Y11EJY685E
- EC Number
- 258-189-2
- Nikkaji
- J60.204C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 92 °C · 92 °C
- Boiling point
- 396.2 · 396.2±37.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- pka
- 10.98 · 10.98±0.46(Predicted)
- Water Solubility
- 250 mg/L · 250mg/L at 22℃
- FDA UNII
- 11 EJY685E · Y11EJY685E
- EPA Substance Registry System
- Butanamide, N-(5-chloro-2-methoxyphenyl)-3-oxo- (52793-11-0)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 5'-chloro-2'-methoxyacetoacetanilide (EC: 258-189-2)
Hazard Classes and CategoriesAcute Tox. 4 (69.6%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, N-(5-chloro-2-methoxyphenyl)-3-oxo-: ACTIVE
Applications
UsesIntermediate for the manufacture of organic pigments.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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