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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
Names and Synonyms:
9,10-Dihydro-9-Oxa-10-Phosphaphenanthrene 10-Oxide
6H-Dibenz[c,e][1,2]oxaphosphorin, 6-oxide
3,4:5,6-Dibenzo-2H-1,2-oxaphosphorin-2-oxide
9,10-Dihydro-9-oxa-10-phosphaphenanthrene 10-oxide
HCA (heat stabilizer)
HCA
Hiretar 101
9,10-Dihydro-9-oxa-10-phosphaphenanthren 10-oxide
Sanko HCA
DOPO
9,10-Dihydro-9-oxa-10-phosphorylphenanthrene 10-oxide
Ukanol DOPO
Ukanol GKF
Epoclean
Struktol Polydis 3710
Polydis 3710
KFR-DOPO
Chemguard DOPO
Polyphlox 3742
DOP 11S25
Identifiers:
SMILES:
O=[PH]1Oc2ccccc2-c2ccccc21
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
Key Properties
Melting Point
119-121 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.18 g/mol | CAS Common Chemistry |
| 216.176 g/mol | RDKit | |
| 216.03401615800001 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 |
| Molar Refractivity | 61.14150000000003 | RDKit |
