Basic information
- CAS
13211-01-3- Standard SMILES
CCCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
WOFNMZNJGZJHJO-UHFFFAOYSA-N- Molecular formula
- C16H16O
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.12011513
Names & identifiers
- Preferred name
- 1-(1,1'-Biphenyl)-4-yl-1-butanone
- IUPAC
- 1-(4-phenylphenyl)butan-1-one
- English name
- 4-Phenylbutyrophenone
- Molecular formula
- C16H16O
- Molecular weight
- 224.3
Names & synonyms
13211-01-34'-Phenylbutyrophenone1-[1,1'-biphenyl]-4-yl-1-butanoneDTXSID701573581-(1,1'-Biphenyl)-4-yl-1-butanoneRefChem:1053683DTXCID0079849236-178-34-Butyrylbiphenyl1-(4-phenylphenyl)butan-1-one1-Butanone, 1-[1,1'-biphenyl]-4-yl-MFCD00041352
Show more names
1,4-DIPHENYL-1-BUTANONEDiphenylbutanoneTIMTEC-BB SBB0057664-Phenylbutyrophenon4-Butyrylbiphenyl >4-BUTYRYLBIPHENYL 99+%1-(4-biphenyl) -1-butanone1-Biphenyl-4-yl-1-butanone
1-{[1,1'-biphenyl]-4-yl}butan-1-one1-([1,1'-Biphenyl]-4-yl)butan-1-oneButyrophenone, 4'-phenyl-NSC24804EINECS 236-178-3p-PhenylbutyrophenoneBionet2_0005361-p-Biphenylyl-1-butanone
Database identifiers
- CAS
13211-01-3- PubChem CID
- 83235
- DTXSID
DTXSID70157358- ChEMBL
CHEMBL1499164- EC Number
- 236-178-3
- Nikkaji
- J213.751H
Properties
Computed structural properties
- XLogP
- 4.4
- 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
- 232
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 55 · 55-59 °C
- Boiling point
- 355 °C · 355 °C
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- powder to crystal
- color
- Light yellow to Brown
- CAS DataBase Reference
- 13211 · 13211-01-3(CAS DataBase Reference)
- Safety Statements
- 24 · 24/25
- HS Code
- 2914.39 · 2914.39.9000
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
- hs_code
- 2914.39.9000
- safety_code
- 24/25
Chemistry & industry
Applications
Uses1-[1,1'-Biphenyl]-4-yl-1-butanone is a useful research chemical compound.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海毕合生物化学技术有限公司13816464724 15900990114 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Wuhan Huahan Dingcheng New Material Technology Co., Ltd+undefined-027-81388558 +undefined086-1878077615 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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