Basic information
- CAS
30863-21-9- Standard SMILES
CCOC(=O)c1nc(C(=O)OCC)nc(C(Cl)(Cl)Cl)n1- InChIKey
JQNCSABKDSUESO-UHFFFAOYSA-N- Molecular formula
- C10H10Cl3N3O4
- Average molar mass
- 342.6 g/mol
- Monoisotopic mass
- 340.973689
Names & identifiers
- Preferred name
- Diethyl 6-(trichloromethyl)-1,3,5-triazine-2,4-dicarboxylate
- IUPAC
- diethyl 6-(trichloromethyl)-1,3,5-triazine-2,4-dicarboxylate
- English name
- 1,3,5-Triazine-2,4-dicarboxylic acid, 6-(trichloromethyl)-, 2,4-diethyl ester
- Molecular formula
- C10H10Cl3N3O4
- Molecular weight
- 342.56
Names & synonyms
diethyl 6-(trichloromethyl)-1,3,5-triazine-2,4-dicarboxylate30863-21-9DTXSID302753201,4-Benzenedimethanol, α1,α4-dimethyl-1,3,5-Triazine-2,4-dicarboxylic acid, 6-(trichloromethyl)-, 2,4-diethyl ester
Database identifiers
- CAS
30863-21-9- PubChem CID
- 35555
- DTXSID
DTXSID30275320- Nikkaji
- J1.615.177G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 424.5 · 424.5±55.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- pka
- -3.81 · -3.81±0.10(Predicted)
Chemistry & industry
Suppliers5 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
湖北丽都新材料科技有限公司19307246857 19307246857 · [email protected]
郑州灵之悦科技有限公司+86-0371-55074660 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…