Basic information
- CAS
67801-53-0- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C)cc2)c1- InChIKey
LETKDZPIJVKUHW-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, 2,5-dimethyl ester
- IUPAC
- dimethyl 2-(4-methylphenyl)benzene-1,4-dicarboxylate
- English name
- dimethyl 4'-methyl[1,1'-biphenyl]-2,5-dicarboxylate
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
EINECS 267-172-9[1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, dimethyl ester(1,1'-Biphenyl)-2,5-dicarboxylic acid, 4'-methyl-, dimethyl ester(1,1'-Biphenyl)-2,5-dicarboxylic acid, 4'-methyl-, 2,5-dimethyl ester[1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, 2,5-dimethyl esterRefChem:39104667801-53-0Dimethyl 4'-methyl(1,1'-biphenyl)-2,5-dicarboxylateDIMETHYL 4'-METHYL[1,1'-BIPHENYL]-2,5-DICARBOXYLATESCHEMBL9423312DTXSID3070622SCHEMBL30571934
Show more names
Dimethyl (1,1'-biphenyl)-2,5-dicarboxylate4'-Methyl-1,1'-biphenyl-2,5-dicarboxylic acid dimethyl ester
Dimethyl2-(4-tolyl)terephthalateDimethyl-2-(4-toluyl)terepthalateDimethyl-2-(4-tolyl)terephthalateDimethyl-2-(4-toluyl)terephthalateDimethyl-2-(4-toluyl)-terepthalateDimethyl-2-(4-toluyl)-terephthalateNS00036183
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 438.3 · 438.3±40.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, dimethyl ester (67801-53-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, 2,5-dimethyl ester: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
9 records
Compound notes
Loading…