Basic information
- CAS
793-06-6- Standard SMILES
CC(=O)c1ccc(CCc2ccc(C(C)=O)cc2)cc1- InChIKey
ZSLCVLSXAOHWBQ-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Names & identifiers
- Preferred name
- 4,4'-Diacetylbibenzyl
- IUPAC
- 1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone
- English name
- 4,4'-DIACETYLBIBENZYL
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33
Names & synonyms
793-06-64,4'-DiacetylbibenzylACETOPHENONE, 4',4'''-ETHYLENEDI-Ethanone, 1,1'-(1,2-ethanediyldi-4,1-phenylene)bis-1,1'-(1,2-Ethanediyldi-4,1-phenylene)bisethanoneNSC-37517LLB4KF8V7UDTXSID70229605RefChem:1069277DTXCID801520964,4'-Diacetyldiphenylethane1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone
Show more names
4,4’-diacetyldiphenylethane4’,4’’’-ethylenedi-acetophenon4',4'''-Ethylenebisacetophenone4',4'''-Ethylenebis(acetophenone)1,1'-[Ethylenebis(4,1-phenylene)]bisethanone1-(4-[2-(4-Acetylphenyl)ethyl]phenyl)ethanone1,1’-(1,2-ethanediyldi-4,1-phenylene)bisethanone
1,1'-(Ethane-1,2-diylbis(4,1-phenylene))diethanoneEthanone,1,1'-(1,2-ethanediyldi-4,1-phenylene)bis- (9CI)1,2-bis(4-acetylphenyl)ethane1,1'-(Ethane-1,2-diylbis(4,1-phenylene))bis(ethan-1-one)1-{4-[2-(4-acetylphenyl)ethyl]phenyl}ethanoneMFCD000606271,1'-(ethane-1,2-diyldibenzene-4,1-diyl)diethanoneNSC 37517
Database identifiers
- CAS
793-06-6- PubChem CID
- 13100
- DTXSID
DTXSID70229605- UNII
- LLB4KF8V7U
- EC Number
- 673-984-8
- Nikkaji
- J90.742A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 164 · 164-166°C
- Boiling point
- 240 °C · >240 °C(Press: 11 Torr)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- FDA UNII
- 4 KF8V7U · LLB4KF8V7U
- 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 (97.4%): 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 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers19 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
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]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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