1,4-Bis(4-chlorophenyl)-2-butene-1,4-dione
Basic information
- CAS
5465-37-2- Standard SMILES
O=C(C=CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
NOWZMUNUVDBDQQ-UHFFFAOYSA-N- Molecular formula
- C16H10Cl2O2
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.0057849
Names & identifiers
- Preferred name
- 1,4-Bis(4-chlorophenyl)-2-butene-1,4-dione
- IUPAC
- 1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione
- English name
- 2-Butene-1,4-dione,1,4-bis(4-chlorophenyl)-
- Molecular formula
- C16H10Cl2O2
- Molecular weight
- 305.16
Names & synonyms
DTXSID1012668901,4-Bis(4-chlorophenyl)-2-butene-1,4-dioneRefChem:416429DTXCID3016975361,4-bis(4-chlorophenyl)but-2-ene-1,4-dionedi-(p-chlorobenzoyl) ethyleneSCHEMBL6998663NOWZMUNUVDBDQQ-UHFFFAOYSA-NTRANS-1,2-BIS(4-CHLOROBENZOYL)ETHYLENE2-Butene-1,4-dione,1,4-bis(4-chlorophenyl)-
Database identifiers
- CAS
5465-37-2- PubChem CID
- 232001
- DTXSID
DTXSID101266890
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 443.7 · 443.7±45.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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