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Molecule
Fosetyl-Al
CAS: 39148-24-8 · C2H7AlO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 39148-24-8
- Molecular Formula
- C2H7AlO3P
- Molecular Mass
- 137.03 g/mol
Identifiers
CAS Registry Number
39148-24-8
SMILES
CCO[PH](=O)O.[Al]
InChI Key
PAQUPAUTWJAATF-UHFFFAOYSA-N
InChI
InChI=1S/C2H7O3P.Al/c1-2-5-6(3)4;/h6H,2H2,1H3,(H,3,4);
Names and Synonyms
- Fosetyl-Al Synonym
- Phosphonic acid, monoethyl ester, aluminum salt (3:1) Synonym
- Phosphonic acid, monoethyl ester, aluminum salt Synonym
- LS 74-783 Synonym
- Aliette Synonym
- Aluminum tris(ethyl phosphite) Synonym
- Phosethyl Al Synonym
- Efosite Al Synonym
- EXP 1659 Synonym
- Fosetyl Al Synonym
- Aluminum tris(O-ethylphosphonate) Synonym
- Efal Synonym
- Fosetyl aluminum Synonym
- Yilinlu Synonym
- Efal 50 Synonym
- Ephal Synonym
- Fosethyl Al Synonym
- Chipco Aliette Signature Synonym
- Chipco Signature Synonym
- Aliette 80WG Synonym
- Alliete Synonym
- Sinophos Synonym
- Aliette Flash Synonym
- Aliette WP Synonym
- Aliette WDG Synonym
- Signature 80 WDG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.03 g/mol | CAS Common Chemistry |
| 137.03099999999998 g/mol | RDKit | |
| 137.031 g/mol | RDKit | |
| 140.055 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fosetyl-Al | CAS Common Chemistry |
| Canonical SMILES | [Al].O=P(O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H7O3P.Al/c1-2-5-6(3)4;/h6H,2H2,1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=PAQUPAUTWJAATF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Fosetyl aluminum | CAS Common Chemistry |
| Fosetyl-Al | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 0.02410000000000001 | RDKit |
| 0.0241 | RDKit | |
| Molar Refractivity | 28.600299999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 136.994819344 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 137.03 g/mol. Edit any field — others recompute live.
