N,N'-(2-Chloro-1,4-phenylene)bis(3-oxobutaneamide)
Basic information
- CAS
53641-10-4- Standard SMILES
CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)c(Cl)c1- InChIKey
RDHJAUVESAEJQX-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O4
- Average molar mass
- 310.73 g/mol
- Monoisotopic mass
- 310.0720347
Names & identifiers
- Preferred name
- N,N'-(2-Chloro-1,4-phenylene)bis(3-oxobutaneamide)
- IUPAC
- N-[3-chloro-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
- English name
- Butanamid, N,N′-(2-Chloro-1,4-phenylen)-bis-(3-oxo-)
- Molecular formula
- C14H15ClN2O4
- Molecular weight
- 310.73
Names & synonyms
53641-10-4N,N'-(2-Chloro-1,4-phenylene)bis[3-oxobutanamide]N,N'-(2-chloro-1,4-phenylene)bis(3-oxobutanamide)RefChem:821641EC 443-010-4N,N'-(2-Chloro-1,4-phenylene)bis(3-oxobutaneamide)443-010-4CBMicro_016772SCHEMBL2913865N-[3-chloro-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamideRDHJAUVESAEJQX-UHFFFAOYSA-NDTXSID501233869
Show more names
2-chloro-1,4-bis(acetoacetylamino)benzeneButanamide, N,N'-(2-chloro-1,4-phenylene)bis[3-oxo-Butanamid, N,N′-(2-Chloro-1,4-phenylen)-bis-(3-oxo-)
CCG-5682AKOS024359724BIM-0016733.P001ST50989304SR-01000203840SR-01000203840-1N,Na(2)-(2-Chloro-1,4-phenylene)bis[3-oxobutanamide]N-[2-chloro-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
Database identifiers
- CAS
53641-10-4- PubChem CID
- 793871
- DTXSID
DTXSID501233869- EC Number
- 443-010-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 115 · 115-117 °C
- Boiling point
- 585.5 · 585.5±50.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- 10.78 · 10.78±0.46(Predicted)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- 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
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Hazard information
Regulatory InformationREACH registered substance: CL-DAEP (EC: 443-010-4)
Hazard Classes and Categories
Aquatic Chronic 3 (100%)
Hazardous to the aquatic environment (chronic) - category 3
Aquatic Chronic 3
Safety data
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Suppliers
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Compound notes
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