CAS 4528-64-7 2-Cyclohexen-1-one, 4,4-diphenyl- (HCID 138280)

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Basic information

CAS: 4528-64-7
Standard SMILES: O=C1C=CC(c2ccccc2)(c2ccccc2)CC1
InChIKey: LUFGFXHHSGISSL-UHFFFAOYSA-N
Molecular formula: C18H16O
Average molar mass: 248.3 g/mol
Monoisotopic mass: 248.12011513

Names & identifiers

Preferred name: 2-Cyclohexen-1-one, 4,4-diphenyl-
IUPAC: 4,4-diphenylcyclohex-2-en-1-one
English name: 4,4-DIPHENYL-2-CYCLOHEXEN-1-ONE
Molecular formula: C18H16O
Molecular weight: 248.32

Names & synonyms

4,4-Diphenyl-2-cyclohexen-1-one4528-64-72-Cyclohexen-1-one, 4,4-diphenyl-DTXSID30196460NSC 82171RefChem:259816DTXCID40118951LUFGFXHHSGISSL-UHFFFAOYSA-N4,4-diphenylcyclohex-2-en-1-one2'H-[1,1':1',1''-Terphenyl]-4'(3'H)-oneMFCD000751592',3'-dihydro-4'H-[1,1':1',1''-terphenyl]-4'-one

Show more names

4,4-DIPHENYL-CYCLOHEX-2-EN-ONE4,4-Diphenyl-2-cyclohexen-1-one 99%

MLS002694471C18H16O4,4-diphenylcyclohex-2-enoneNSC821714,4-diphenyl-cyclohex-2-en-1-one4,4-diphenylcyclohexenoneNCIOpen2_004348SCHEMBL744007

Database identifiers

CAS: 4528-64-7
PubChem CID: 138280
DTXSID: DTXSID30196460
ChEMBL: CHEMBL1869844
Nikkaji: J488.627E

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 325

Physicochemical properties

Melting point: 90 · 90-92 °C (lit.)
Boiling point: 307.8 · 307.8±42.0 °C(Predicted)
Density: 1.113 · 1.113±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
WGK Germany: 3 · 3
HS Code: 2917.39 · 2917.39.7000

Safety & regulation

Safety data

wgk: 3
hs_code: 2917.39.7000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 1 item

General DescriptionPhotochemistry of 4,4-diphenyl-2-cyclohepten-1-one has been investigated. Electrohydrodimerization of 4,4-diphenyl-2-cyclohexen-1-one in buffered hydroethanolic solutions has been studied by polarography, cyclic voltammetry and controlled-potential coulometry.