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Cas Database |
| Name |
Dimethyl 2-hydroxyethylphosphonate |
EINECS | 259-310-1 |
| CAS No. | 54731-72-5 | Density | 1.247 |
| PSA | 65.57000 | LogP | 0.46460 |
| Solubility | soluble in water | Melting Point |
N/A |
| Formula | C4H11 O4 P | Boiling Point | 98-104 ºC (0.1 mmHg) |
| Molecular Weight | 154.103 | Flash Point | 192 ºC |
| Transport Information | N/A | Appearance | Colorless liquid |
| Safety | 37/39-26 | Risk Codes | R36/37/38 |
| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
Phosphonicacid, (2-hydroxyethyl)-, dimethyl ester (9CI); (2-Hydroxyethyl)phosphonic aciddimethyl ester; Dimethyl (2-hydroxyethyl)phosphonate; Dimethyl (b-hydroxyethyl)phosphonate;Dimethyl 2-phosphonoethanol |
Article Data | 9 |
Dimethyl 2-hydroxyethylphosphonate Chemical Properties
Molecule structure of Phosphonic acid,P-(2-hydroxyethyl)-, dimethyl ester (CAS NO.54731-72-5):
IUPAC Name: 2-Dimethoxyphosphorylethanol
Molecular Weight: 154.101501 [g/mol]
Molecular Formula: C4H11O4P
Index of Refraction: 1.417
Molar Refractivity: 32.47 cm3
Molar Volume: 128.9 cm3
Surface Tension: 37.6 dyne/cm
Water Solubility: soluble
Density: 1.195 g/cm3
Flash Point: 96.7 °C
Enthalpy of Vaporization: 54.99 kJ/mol
Boiling Point: 236.4 °C at 760 mmHg
Vapour Pressure: 0.00859 mmHg at 25 °C
XLogP3-AA: -1.2
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 154.039495
MonoIsotopic Mass: 154.039495
Topological Polar Surface Area: 55.8
Heavy Atom Count: 9
Canonical SMILES: COP(=O)(CCO)OC
InChI: InChI=1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3
InChIKey: TZPPDWDHNIMTDQ-UHFFFAOYSA-N
EINECS: 259-310-1
Product Categories of Phosphonic acid,P-(2-hydroxyethyl)-, dimethyl ester (CAS NO.54731-72-5): Horner-Emmons Reaction;Synthetic Organic Chemistry;Wittig & Horner-Emmons Reaction
Dimethyl 2-hydroxyethylphosphonate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Dimethyl 2-hydroxyethylphosphonate Specification
Phosphonic acid,P-(2-hydroxyethyl)-, dimethyl ester (CAS NO.54731-72-5) is also named as Dimethyl (2-hydroxyethyl)phosphonate ; 2-Hydroxyethylphosphonic Acid Dimethyl Ester .
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