Back to Search
2-[(6-Oxido-6H-Dibenz[C,E][1,2]Oxaphosphorin-6-Yl)Methyl]Butanedioic Acid
CAS: 63562-33-4 | C17H15O6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
63562-33-4
Molecular Formula:
C17H15O6P
Molecular Mass:
346.28 g/mol
Names and Synonyms:
2-[(6-Oxido-6H-Dibenz[C,E][1,2]Oxaphosphorin-6-Yl)Methyl]Butanedioic Acid
Butanedioic acid, 2-[(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-
Butanedioic acid, (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)-, P-oxide
Butanedioic acid, [(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-
6H-Dibenz[c,e][1,2]oxaphosphorin, butanedioic acid deriv.
2-[(6-Oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]butanedioic acid
Ukanol RD
9,10-Dihydro-9-oxa-10-phosphaphenanthren-10-oxide itaconic acid adduct
M-Acid
M-Acid (carboxylic acid)
ZB 101
DDP
10-(9,10-Dihydro-9-oxa-10-phosphaphenanthrene-10-oxide)-2-methylbutanedicarboxylic acid
Lunastab DDP
DDP Flame Retardant
Identifiers:
SMILES:
O=C(O)CC(CP1(=O)Oc2ccccc2-c2ccccc21)C(=O)O
InChI:
InChI=1S/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21)
Key Properties
Melting Point
191-192 °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 | 346.28 g/mol | CAS Common Chemistry |
| 346.2750000000001 g/mol | RDKit | |
| 346.06062483 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC(C(=O)O)CP1(=O)OC=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21) | CAS Common Chemistry |
| InChI Key | InChIKey=XZAXQWXHBDKYJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 191-192 °C | CAS Common Chemistry |
| Name | 2-[(6-Oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]butanedioic acid | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 100.89999999999999 Ų | RDKit |
| LogP | 2.8249000000000004 | RDKit |
| Molar Refractivity | 87.99210000000005 | RDKit |
