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| CAS No.: | 812-00-0 |
|---|---|
| Name: | methyl dihydrogen phosphate |
| Article Data: | 54 |
| Molecular Structure: | |
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| Formula: | CH5 O4 P |
| Molecular Weight: | 112.022 |
| Synonyms: | Methylphosphate ((CH3O)(HO)2PO) (6CI); Methyl dihydrogen phosphate; Methyl phosphate((MeO)(HO)2PO); Monomethyl dihydrogen phosphate; Monomethyl phosphate; NSC41908; O-Methyl phosphate |
| Density: | 1.587±0.06 g/cm3(Predicted) |
| Boiling Point: | 250.086°C at 760 mmHg |
| Flash Point: | 105.048°C |
| Solubility: | 435g/L at 25℃ |
| Safety: | Mutation data reported. When heated to decomposition it emits toxic fumes of POx. |
| PSA: | 76.57000 |
| LogP: | -0.27450 |
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Chemistry
Molecule structure of Dihydrogen methyl phosphate (CAS NO.812-00-0) :
IUPAC Name: methyl dihydrogen phosphate
Molecular Weight: 112.021761 g/mol
Molecular Formula: CH5O4P
Density: 1.587 g/cm3
Boiling Point: 250.1 °C at 760 mmHg
Flash Point: 105 °C
Index of Refraction: 1.433
Molar Refractivity: 18.37 cm3
Molar Volume: 70.5 cm3
Polarizability: 7.28*10-24 cm3
Surface Tension: 60.9 dyne/cm
Enthalpy of Vaporization: 53.66 kJ/mol
Vapour Pressure: 0.00701 mmHg at 25 °C
XLogP3-AA: -1.6
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 111.992545
MonoIsotopic Mass: 111.992545
Topological Polar Surface Area: 66.8
Heavy Atom Count: 6
Complexity: 71.6
Canonical SMILES: COP(=O)(O)O
InChI: InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
InChIKey: CAAULPUQFIIOTL-UHFFFAOYSA-N
EINECS: 212-379-1
Toxicity Data With Reference
| 1. | mmo-klp 1000 ppm | MUREAV Mutation Research. 16 (1972),413. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mutation data reported. When heated to decomposition it emits toxic fumes of POx.
RIDADR: 3265
HazardClass: 8
PackingGroup: III
Specification
Dihydrogen methyl phosphate (CAS NO.812-00-0) is also called 4-01-00-01258 (Beilstein Handbook Reference) ; BRN 1701224 ; Methyl dihydrogen phosphate ; Methyl phosphate, (MeO)(HO)2PO ; Monomethyl dihydrogen phosphate ; Monomethyl phosphate ; NSC 41908 ; O-Methyl phosphate ; Phosphoric acid, monomethyl ester . Dihydrogen methyl phosphate (CAS NO.812-00-0) is very clear light amber liquid and is soluble in water. Susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides. Dihydrogen methyl phosphate (CAS NO.812-00-0) can be neutralized with alkalis or amines to give water-soluble salts. When heated to decomposition Dihydrogen methyl phosphate emits toxic fumes of phosphorous oxides. Dihydrogen methyl phosphate is probably combustible.