Basic information
- CAS
6244-53-7- Standard SMILES
CCOC(=O)C(=O)c1ccc(-c2ccccc2)cc1- InChIKey
JSNHSBCQHIQENB-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- Ethyl 4-phenylbenzoylformate
- IUPAC
- ethyl 2-oxo-2-(4-phenylphenyl)acetate
- English name
- ethyl alpha-oxo[1,1'-biphenyl]-4-acetate
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
6244-53-7ETHYL 4-PHENYLBENZOYLFORMATEethyl 2-oxo-2-(4-phenylphenyl)acetateMFCD09801387Ethyl 4-biphenylylglyoxylateEthyl alpha-oxo(1,1'-biphenyl)-4-acetateEthyl alpha-oxo[1,1'-biphenyl]-4-acetateethyl 2-(biphenyl-4-yl)-2-oxoacetateethyl 2-([1,1'-biphenyl]-4-yl)-2-oxoacetateEINECS 228-355-9[1,1'-Biphenyl]-4-aceticacid, a-oxo-, ethyl esterBiphenyl-4-yl-oxo-acetic acid ethyl ester
Show more names
α-Oxo[1,1'-biphenyl]-4-acetic acid ethyl ester[1,1'-Biphenyl]-4-acetic acid, α-oxo-, ethyl ester
Ethyl 4-biphenylyl(oxo)acetateSCHEMBL1172378CHEMBL3683954DTXSID90211481ETHYL4-PHENYLBENZOYLFORMATEJSNHSBCQHIQENB-UHFFFAOYSA-NBDBM173919AKOS006022073
Database identifiers
- CAS
6244-53-7- PubChem CID
- 80389
- DTXSID
DTXSID90211481- ChEMBL
CHEMBL3683954- EC Number
- 228-355-9
- Nikkaji
- J211.471B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 38 · 38-39 °C
- Boiling point
- 205 °C · 205 °C(Press: 5 Torr)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers11 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海黎枫医药科技有限公司021-13681628734 13681628734 · [email protected]
Related reactions
19 records
Compound notes
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