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Aluminium Diethyl Phosphinate
CAS: 225789-38-8 | C4H11AlO2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
225789-38-8
Molecular Formula:
C4H11AlO2P
Molecular Weight:
149.08599999999998 g/mol
Names and Synonyms:
Aluminium Diethyl Phosphinate
LFR 8004
LFR 8001
LFR 8002
ADP 30
FLR 8003
PFR-SN 3020
FR-ADP 02
ADP 01
Exolit 1314
Exolit 1312
Exolite OP 935
Pekoflam STC-PDR
ZX-ADP 900
OP 1314
Exolit OP 1314
Tris(diethylphosphinato)aluminium
Aluminum tris(diethylphosphinate)
OP 1240
Exolit 930
Exolit 1240
OP 1230
Exolit OP 1240
Diethylphosphinic acid aluminum salt
OP 935
Exolit OP 935
Exolit OP 1230
OP 930
Exolit OP 930
Diethylphosphinic acid, aluminum salt (3:1)
Aluminum diethylphosphinate
Phosphinic acid, diethyl-, aluminum salt
Phosphinic acid, P,P-diethyl-, aluminum salt (3:1)
Identifiers:
SMILES:
CCP(=O)(O)CC.[Al]
InChI:
InChI=1S/C4H11O2P.Al/c1-3-7(5,6)4-2;/h3-4H2,1-2H3,(H,5,6);
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.08599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.031204852 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9158 | RDKit |
| molecular_mass | 149.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aluminium_diethyl_phosphinate None | Legacy Database |
| cas-canonical-smile | [Al].O=P(O)(CC)CC None | Legacy Database |
| cas-inchi | InChI=1S/C4H11O2P.Al/c1-3-7(5,6)4-2;/h3-4H2,1-2H3,(H,5,6); None | Legacy Database |
| cas-inchi-key | InChIKey=GNQAGTIQCCWTSZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Aluminum diethylphosphinate None | Legacy Database |
| wikipedia-name | Aluminium diethyl phosphinate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.661300000000004 | RDKit |
