N-(3,4-dichlorophenyl)-3-oxobutanamide
Basic information
- CAS
51309-24-1- Standard SMILES
CC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1- InChIKey
BPAFBORSRKBCPI-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2NO2
- Average molar mass
- 246.09 g/mol
- Monoisotopic mass
- 245.0010339
Names & identifiers
- Preferred name
- N-(3,4-dichlorophenyl)-3-oxobutanamide
- IUPAC
- N-(3,4-dichlorophenyl)-3-oxobutanamide
- English name
- 3,4-Dichloroacetoacetanilid
- Molecular formula
- C10H9Cl2NO2
- Molecular weight
- 246.09
Names & synonyms
N-(3,4-dichlorophenyl)-3-oxobutanamide51309-24-1DTXSID40358173RefChem:361063DTXCID20309229N-(3,4-Dichlorophenyl)-3-oxo-butanamideMFCD00451749CBMicro_010015SCHEMBL9824009SMSF0013741STL090833AKOS000164592
Show more names
3,4-DichloroacetoacetanilidAcetoacetyl-3,4-dichloroanilideButanamide, N-(3,4-dichlorophenyl)-3-oxo-
CB12895BIM-0009954.P001CS-0323009ST50995658SR-01000227223SR-01000227223-1
Database identifiers
- CAS
51309-24-1- PubChem CID
- 879412
- DTXSID
DTXSID40358173
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 423.9 · 423.9±45.0 °C(Predicted)
- Density
- 1.393 · 1.393
- storage temp.
- 2 · 2-8°C
- pka
- 10.65 · 10.65±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Related reactions
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Compound notes
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