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| CAS No.: | 24630-67-9 |
|---|---|
| Name: | Dimethyl hydroxymethylphosphonate |
| Article Data: | 31 |
| Molecular Structure: | |
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| Formula: | C3H9O4P |
| Molecular Weight: | 140.076 |
| Synonyms: | Dimethyl hydroxymethyl phosphonate; |
| Density: | 1.246 g/cm3 |
| Boiling Point: | 209.444 °C at 760 mmHg |
| Flash Point: | 80.469 °C |
| PSA: | 65.57000 |
| LogP: | 0.42210 |
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Specification
This chemical is called Dimethyl hydroxymethylphosphonate, and it can also be named as Hydroxymethylphosphonic acid dimethyl ester. With the molecular formula of C3H9O4P, its molecular weight is 140.07. The CAS registry number of this chemical is 24630-67-9.
Other characteristics of the Dimethyl hydroxymethylphosphonate can be summarised as followings: (1)ACD/LogP: -1.92; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 65.57 Å2; (11)Index of Refraction: 1.41; (12)Molar Refractivity: 27.847 cm3; (13)Molar Volume: 112.434 cm3; (14)Polarizability: 11.039×10-24cm3; (15)Surface Tension: 38.289 dyne/cm; (16)Density: 1.246 g/cm3; (17)Flash Point: 80.469 °C; (18)Enthalpy of Vaporization: 51.845 kJ/mol; (19)Boiling Point: 209.444 °C at 760 mmHg; (20)Vapour Pressure: 0.047 mmHg at 25°C.
Uses of this chemical: The Dimethyl hydroxymethylphosphonate could react with ethoxyethene, and obtain the (1-ethoxy-ethoxymethyl)-phosphonic acid dimethyl ester. This reaction needs the reagent of concd. HCl. The yield is 81 %. In additon, this reaction should be taken at the temperature ambient temperature.
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You can still convert the following datas into molecular structure:
1.SMILES: O=P(OC)(OC)CO
2.InChI: InChI=1/C3H9O4P/c1-6-8(5,3-4)7-2/h4H,3H2,1-2H3
3.InChIKey: OIERWUPLBOKSRB-UHFFFAOYAH