Basic information
- CAS
4846-23-5- Standard SMILES
O=P1(O)Oc2ccccc2O1- InChIKey
OWBLFTIPFLNLBN-UHFFFAOYSA-N- Molecular formula
- C6H5O4P
- Average molar mass
- 172.07 g/mol
- Monoisotopic mass
- 171.99254563
Names & identifiers
- Preferred name
- 2-Hydroxy-1,3,2-benzodioxaphosphole 2-oxide
- IUPAC
- 2-hydroxy-1,3,2λ5-benzodioxaphosphole 2-oxide
- English name
- 2-Hydroxy-1,3,2-benzodioxaphosphole-2-oxide
- Molecular formula
- C6H5O4P
- Molecular weight
- 172.08
Names & synonyms
4846-23-52-Hydroxy-1,3,2-benzodioxaphosphole 2-oxide2-HYDROXY-1,3,2-BENZODIOXAPHOSPHOLE-2-OXIDEEINECS 225-435-5Catechol cyclic phosphateSCHEMBL5804639SCHEMBL29415555DTXSID10197531AKOS006275284NS000318002-Hydroxy-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one1,3,2-Benzodioxaphosphole, 2-hydroxy-, 2-oxide
Database identifiers
- CAS
4846-23-5- PubChem CID
- 78561
- DTXSID
DTXSID10197531- EC Number
- 225-435-5
- Nikkaji
- J2.626.514B、J262.489C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 200 · 200-240 °C (decomp)
- Boiling point
- 225 °C · 225 °C(Press: 3 Torr)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 1.12 · 1.12±0.20(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…