Basic information
- CAS
4631-69-0- Standard SMILES
C#CCOC(=O)c1ccc(C(=O)OCC#C)cc1- InChIKey
HZTNYDWTDTYXQC-UHFFFAOYSA-N- Molecular formula
- C14H10O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.0579088
Names & identifiers
- Preferred name
- Bis(propargyl)terephthalate
- IUPAC
- bis(prop-2-ynyl) benzene-1,4-dicarboxylate
- English name
- diprop-2-ynyl benzene-1,4-dicarboxylate
- Molecular formula
- C14H10O4
- Molecular weight
- 242.23
Names & synonyms
4631-69-0Di-2-propyn-1-yl terephthalateDi(prop-2-yn-1-yl) terephthalatebis(propargyl)terephthalateNSC525144DIPROP-2-YNYL BENZENE-1,4-DICARBOXYLATESCHEMBL1763691,4-bis(prop-2-yn-1-yl) benzene-1,4-dicarboxylateDTXSID70326183HZTNYDWTDTYXQC-UHFFFAOYSA-NNSC-525144Diprop-2-yn-1-yl benzene-1,4-dicarboxylate
Show more names
1,4-Di-2-propyn-1-yl 1,4-benzenedicarboxylate1,4-Benzenedicarboxylic acid, 1,4-di-2-propyn-1-yl ester
Di(prop-2-yn-1-yl) benzene-1,4-dicarboxylate
Database identifiers
- CAS
4631-69-0- PubChem CID
- 352136
- DTXSID
DTXSID70326183- Nikkaji
- J623.329E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 110 · 110-111 °C
- Boiling point
- 376.3 · 376.3±32.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers2 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
2 records
Compound notes
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