Basic information
- CAS
55676-76-1- Standard SMILES
COC(=O)c1ccc(-c2cccc(C(=O)OC)c2)cc1- InChIKey
WECHJLDENFZQRV-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920893
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester
- IUPAC
- methyl 3-(4-methoxycarbonylphenyl)benzoate
- English name
- dimethyl [1,1'-biphenyl]-3,4'-dicarboxylate
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, dimethyl esterEINECS 259-748-3(1,1'-Biphenyl)-3,4'-dicarboxylic acid, dimethyl ester(1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3,4'-dimethyl esterRefChem:39106255676-76-1dimethyl biphenyl-3,4'-dicarboxylatemethyl 3-(4-methoxycarbonylphenyl)benzoateMFCD06204223Dimethyl [1,1'-biphenyl]-3,4'-dicarboxylateDimethyl (1,1'-biphenyl)-3,4'-dicarboxylate
Show more names
Dimethylbiphenyl-3,4’DiMethyl biphenyl-3,4'-dicarboxylate3,4'-Biphenyldicarboxylic acid dimethyl esterBiphenyl-3,4'-dicarboxylic acid dimethyl ester
SCHEMBL68931DTXSID6069038dimethyl 3,4'-biphenyldicarboxylatedimethylbiphenyl-3,4'-dicarboxylateDimethyl biphenyl 3,4'-dicarboxylateDimethyl biphenyl-3,4''-dicarboxylateBS-28802NS00033362
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 95 °C · 95 °C
- Boiling point
- 416.8 · 416.8±38.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-3,4'-dicarboxylic acid, dimethyl ester (55676-76-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 3,4'-dimethyl ester: INACTIVE
Applications
UsesDimethyl biphenyl-3,4''-dicarboxylate
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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