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Basic information
- CAS
5409-60-9- Standard SMILES
CC(=O)CC(c1ccccc1)c1ccccc1- InChIKey
FPHXYKLKNOEKTQ-UHFFFAOYSA-N- Molecular formula
- C16H16O
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.12011513
Names & identifiers
- Preferred name
- 4,4-Diphenyl-2-butanone
- IUPAC
- 4,4-diphenylbutan-2-one
- English name
- 4,4-DIPHENYL-2-BUTANONE
- Molecular formula
- C16H16O
- Molecular weight
- 224.3
Names & synonyms
4,4-Diphenylbutan-2-one4,4-diphenyl-2-butanone5409-60-9L39ARQ75GGNSC-12496DTXSID00202421RefChem:1069348DTXCID00124912226-482-44,4'-Diphenyl-2-butanoneNSC124964,4-diphenyl-butan-2-one
Show more names
1,1-Diphenyl-3-butanone4,4-Diphenyl-2-butanone,98%4,4-DIPHENYL-2-BUTANONE USP/EP/BP
MFCD00017619BenzhydrylacetonEINECS 226-482-4UNII-L39ARQ75GG2-Butanone, 4,4-diphenyl-SCHEMBL109205methyl-(2,2-diphenylethyl) ketoneNSC 12496
Database identifiers
- CAS
5409-60-9- PubChem CID
- 79421
- DTXSID
DTXSID00202421- UNII
- L39ARQ75GG
- EC Number
- 226-482-4
- Nikkaji
- J217.977F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 170 · 170-171 °C
- Boiling point
- 164.5 · 164.5-168 °C(Press: 4-5 Torr)
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 5409 · 5409-60-9
- FDA UNII
- 39 ARQ75GG · L39ARQ75GG
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Applications
Uses4,4-Diphenyl-2-butanone was used as a reagent in the efficient synthesis and ring opening reactions of monofluorinated epoxides.
Suppliers9 total
陕西缔都新材料有限公司029-63373950 17392216152 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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