Basic information
- CAS
17118-80-8- Standard SMILES
C#CCOP(=O)(OCC)OCC- InChIKey
BURXZHCIEDSVSW-UHFFFAOYSA-N- Molecular formula
- C7H13O4P
- Average molar mass
- 192.15 g/mol
- Monoisotopic mass
- 192.05514553
Names & identifiers
- Preferred name
- Phosphoric acid, diethyl 2-propyn-1-yl ester
- IUPAC
- diethyl prop-2-ynyl phosphate
- English name
- DIETHYLPROPARGYLPHOSPHATE
- Molecular formula
- C7H13O4P
- Molecular weight
- 192.15
Names & synonyms
17118-80-8Phosphoric acid, diethyl 2-propynyl esterDTXSID80169023RefChem:1095398DTXCID0091514Phosphoric acid, diethyl 2-propyn-1-yl esterdiethyl prop-2-ynyl phosphatediethyl prop-2-yn-1-yl phosphateDiethyl 2-propynyl phosphateEthyl 2-propynyl phosphateNSC 23726Phosphate de diethylpropargyl [French]
Show more names
prop-2-ynyl diethyl phosphate
BRN 1909120Phosphate de diethylpropargylAI3-30940Diethylpropargylphosphate1469 H.C.SCHEMBL11245636BURXZHCIEDSVSW-UHFFFAOYSA-NNSC23726
Database identifiers
- CAS
17118-80-8- PubChem CID
- 95212
- DTXSID
DTXSID80169023- Nikkaji
- J1.513.711H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 25 Torr)
- Density
- 1.1196 g/cm3 · 1.1196 g/cm3
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
4 records
Compound notes
Loading…