1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione

HCID 89801
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Basic information

CAS
22711-23-5
Standard SMILES
O=C(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIKey
QDCKVAZDINMMHO-UHFFFAOYSA-N
Molecular formula
C14H9ClO2
Average molar mass
244.67 g/mol
Monoisotopic mass
244.02910721

Names & identifiers

Preferred name
1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione
IUPAC
1-(4-chlorophenyl)-2-phenylethane-1,2-dione
English name
4-Chlorobenzil
Molecular formula
C14H9ClO2
Molecular weight
244.67

Names & synonyms

22711-23-5(p-Chlorophenyl)phenylethanedione1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedioneNX93J5ZDB7DTXSID00177246RefChem:1054328DTXCID5099737245-169-34-Chlorobenzil1-(4-chlorophenyl)-2-phenylethane-1,2-dione4-Chlorodibenzoyl1-(4-Chlorophenyl)-2-phenylethan-1,2-dione
Show more names
Ethanedione,(4-chlorophenyl)phenyl-Ethanedione, (4-chlorophenyl)phenyl-2-(4-Chlorophenyl)-1-phenylethanedione2-Phenyl-1-(4-chlorophenyl)-1,2-ethanedione
MFCD000136461-(4-chlorophenyl)-2-phenyl-ethane-1,2-dionep-ChlorbenzilEINECS 245-169-31-(4-Chloro-phenyl)-2-phenyl-ethaneP-CHLOROBENZIL-1,2-dione4-Chlorobenzil, 98+%

Database identifiers

CAS
22711-23-5
PubChem CID
89801
DTXSID
DTXSID00177246
ChEMBL
CHEMBL192180
UNII
NX93J5ZDB7
EC Number
245-169-3
Nikkaji
J286.279D

Properties

Computed structural properties

XLogP
4
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
17

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
66 · 66-67°C
Boiling point
163 · 163-165 °C(Press: 0.98 Torr)
Density
1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
Appearance
Light yellow to yellow Solid
InChI
InChI=1S/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H

Safety & regulation

Safety data

hs_code
2914199090

Chemistry & industry

Applications

UsesUsed as an intermediate in organic synthesis.

Suppliers27 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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