1,2-Dibenzoyl-1-chloroethane
Basic information
- CAS
68665-40-7- Standard SMILES
O=C(CC(Cl)C(=O)c1ccccc1)c1ccccc1- InChIKey
QIXMGGCRIXCOHY-UHFFFAOYSA-N- Molecular formula
- C16H13ClO2
- Average molar mass
- 272.72 g/mol
- Monoisotopic mass
- 272.0604073
Names & identifiers
- Preferred name
- 1,2-Dibenzoyl-1-chloroethane
- IUPAC
- 2-chloro-1,4-diphenylbutane-1,4-dione
- English name
- 1,2-Dibenzoyl-1-chloroethane
- Molecular formula
- C16H13ClO2
- Molecular weight
- 272.73
Names & synonyms
1,2-DIBENZOYL-1-CHLOROETHANERefChem:41152968665-40-7666-450-0SCHEMBL8534214AKOS0243366561,4-Butanedione, 2-chloro-1,4-diphenyl-
Database identifiers
- CAS
68665-40-7- PubChem CID
- 5081748
- EC Number
- 666-450-0
- Nikkaji
- J763.960K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 116 · 116-117 °C
- Boiling point
- 438.2 · 438.2±35.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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