1,4-Bis(4-chlorophenyl)-2-butene-1,4-dione

HCID 232001CAS 5465-37-2
Substructure searchFind similar structures

Basic information

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

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

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS09
Hazard statements
H410
Precautionary statements
P273-P391-P501

Chemistry & industry

Upstream & downstream products

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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