Basic information
- CAS
4678-00-6- Standard SMILES
C#CCOC(=O)c1c(Cl)c(Cl)c(C(=O)OCC#C)c(Cl)c1Cl- InChIKey
DDTJRSQHEHKNGR-UHFFFAOYSA-N- Molecular formula
- C14H6Cl4O4
- Average molar mass
- 380 g/mol
- Monoisotopic mass
- 377.902019
Names & identifiers
- Preferred name
- Diprop-2-ynyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
- IUPAC
- bis(prop-2-ynyl) 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
- English name
- diprop-2-ynyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
- Molecular formula
- C14H6Cl4O4
- Molecular weight
- 380.01
Names & synonyms
4678-00-6DIPROP-2-YNYL 2,3,5,6-TETRACHLOROBENZENE-1,4-DICARBOXYLATENSC525145DTXSID30326184NSC-525145Di(prop-2-yn-1-yl) 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-di-2-propyn-1-yl ester
Database identifiers
- CAS
4678-00-6- PubChem CID
- 352137
- DTXSID
DTXSID30326184
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Melting point
- 117 · 117-118 °C
- Boiling point
- 489.3 · 489.3±45.0 °C(Predicted)
- Density
- 1.541 · 1.541±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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