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Molecule
9,10-Dihydro-9-Oxa-10-Phosphaphenanthrene 10-Oxide
CAS: 35948-25-5 · C12H9O2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 35948-25-5
- Molecular Formula
- C12H9O2P
- Molecular Mass
- 216.18 g/mol
Identifiers
CAS Registry Number
35948-25-5
SMILES
O=[PH]1Oc2ccccc2-c2ccccc21
InChI Key
VBQRUYIOTHNGOP-UHFFFAOYSA-N
InChI
InChI=1S/C12H9O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8,15H
Names and Synonyms
- 9,10-Dihydro-9-Oxa-10-Phosphaphenanthrene 10-Oxide Systematic Name
- 6H-Dibenz[c,e][1,2]oxaphosphorin, 6-oxide Synonym
- 3,4:5,6-Dibenzo-2H-1,2-oxaphosphorin-2-oxide Synonym
- 9,10-Dihydro-9-oxa-10-phosphaphenanthrene 10-oxide Synonym
- HCA (heat stabilizer) Synonym
- HCA Synonym
- Hiretar 101 Synonym
- 9,10-Dihydro-9-oxa-10-phosphaphenanthren 10-oxide Synonym
- Sanko HCA Synonym
- DOPO Synonym
- 9,10-Dihydro-9-oxa-10-phosphorylphenanthrene 10-oxide Synonym
- Ukanol DOPO Synonym
- Ukanol GKF Synonym
- Epoclean Synonym
- Struktol Polydis 3710 Synonym
- Polydis 3710 Synonym
- KFR-DOPO Synonym
- Chemguard DOPO Synonym
- Polyphlox 3742 Synonym
- DOP 11S25 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.18 g/mol | CAS Common Chemistry |
| 216.176 g/mol | RDKit | |
| Canonical SMILES | O=P1OC=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8,15H | CAS Common Chemistry |
| InChI Key | InChIKey=VBQRUYIOTHNGOP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119-121 °C | CAS Common Chemistry |
| Name | 9,10-Dihydro-9-oxa-10-phosphaphenanthrene 10-oxide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.846000000000002 | RDKit |
| 2.846 | RDKit | |
| Molar Refractivity | 61.14150000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 216.03401615800001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 216.18 g/mol. Edit any field — others recompute live.
