Basic information
- CAS
5449-21-8- Standard SMILES
O=C(O)C(=O)c1ccc(-c2ccccc2)cc1- InChIKey
DRFCZRDAUHIVIG-UHFFFAOYSA-N- Molecular formula
- C14H10O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.06299418
Names & identifiers
- Preferred name
- 2-Oxo-2-(4-phenylphenyl)acetic acid
- IUPAC
- 2-oxo-2-(4-phenylphenyl)acetic acid
- English name
- 2-([1,1'-biphenyl]-4-yl)-2-oxoacetic acid
- Molecular formula
- C14H10O3
- Molecular weight
- 226.2274
Names & synonyms
2-oxo-2-(4-phenylphenyl)acetic acid5449-21-82-([1,1'-biphenyl]-4-yl)-2-oxoacetic acidMFCD111796382-(Biphenyl-4-yl)-2-oxoacetic acid2-{[1,1'-biphenyl]-4-yl}-2-oxoacetic acidNSC16282Fenbufen Impurity 14SCHEMBL7746452CHEMBL3247414DTXSID30280297FAA44921
Show more names
Biphenyl-4-yl-oxo-acetic acid[1,1'-Biphenyl]-4-acetic acid, α-oxo-
2-oxo-2-(4-phenylphenyl)aceticacidNSC-16282AKOS009312648BS-44898([1,1'-Biphenyl]-4-yl)(oxo)acetic acidDB-238601CS-02589432-([1,1-Biphenyl]-4-yl)-2-oxoacetic acid
Database identifiers
- CAS
5449-21-8- PubChem CID
- 226136
- DTXSID
DTXSID30280297- ChEMBL
CHEMBL3247414- EC Number
- 186-725-4
- Nikkaji
- J1.860.092G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 101 · 101-103 °C
- Boiling point
- 397.8 · 397.8±25.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 2.09 · 2.09±0.54(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [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]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [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
0 records
No reaction records under the current filter.
Compound notes
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