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Dihydrogen methyl phosphate

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Name

Dihydrogen methyl phosphate

EINECS N/A
CAS No. 812-00-0 Density 1.587±0.06 g/cm3(Predicted)
PSA 76.57000 LogP -0.27450
Solubility 435g/L at 25℃ Melting Point N/A
Formula CH5 O4 P Boiling Point 250.086°C at 760 mmHg
Molecular Weight 112.022 Flash Point 105.048°C
Transport Information N/A Appearance N/A
Safety Mutation data reported. When heated to decomposition it emits toxic fumes of POx. Risk Codes N/A
Molecular Structure Molecular Structure of 812-00-0 (methyl dihydrogen phosphate) Hazard Symbols N/A
Synonyms

Methylphosphate ((CH3O)(HO)2PO) (6CI); Methyl dihydrogen phosphate; Methyl phosphate((MeO)(HO)2PO); Monomethyl dihydrogen phosphate; Monomethyl phosphate; NSC41908; O-Methyl phosphate

Article Data 54

Dihydrogen methyl phosphate Chemical Properties

Molecule structure of Dihydrogen methyl phosphate (CAS NO.812-00-0) :

IUPAC Name: methyl dihydrogen phosphate 
Molecular Weight: 112.021761 g/mol
Molecular Formula: CH5O4
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

Dihydrogen methyl phosphate Toxicity Data With Reference

1.    

mmo-klp 1000 ppm

    MUREAV    Mutation Research. 16 (1972),413.

Dihydrogen methyl phosphate Consensus Reports

Reported in EPA TSCA Inventory.

Dihydrogen methyl phosphate Safety Profile

Mutation data reported. When heated to decomposition it emits toxic fumes of POx.
RIDADR: 3265
HazardClass: 8
PackingGroup: III

Dihydrogen methyl phosphate 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.

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