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Cas Database |
| Name |
Methylphosphonate |
EINECS | 237-027-4 |
| CAS No. | 993-13-5 | Density | 1.495 g/cm3 |
| PSA | 67.34000 | LogP | -0.20610 |
| Solubility | Soluble in water and alcohol. | Melting Point |
105-107 °C(lit.) |
| Formula | CH5O3P | Boiling Point | 265.2 °C at 760 mmHg |
| Molecular Weight | 96.0227 | Flash Point | 114.2 °C |
| Transport Information | UN 3261 8/PG 2 | Appearance | White crystal or flake |
| Safety | 26-36/37/39-45 | Risk Codes | 22-34 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
Phosphonicacid, methyl- (6CI,8CI,9CI);Dihydrogen methylphosphonate;Methanephosphonic acid;Methylphosphonic acid;NSC 119358; |
Article Data | 75 |
Methylphosphonate Synthetic route
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 3h; Hydrolysis; Heating; | 96% |
| With trifluorormethanesulfonic acid In water at 140℃; for 24h; Sealed tube; Schlenk technique; | 93% |
| With hydrogenchloride | 88% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; copper In water at 95℃; for 1.2h; | 15.3% |
- 2565-58-4
chloromethylphosphonic acid
- 142-73-4
iminodiacetic acid
B
- 993-13-5
methylphosphonic acid
C
- 34494-03-6, 40465-64-3, 40465-65-4, 70393-85-0, 102413-71-8
tri-sodium salt of N-phosphonomethylglycine
| Conditions | Yield |
|---|---|
| With sodium hydroxide; copper In water at 95℃; for 17 - 65h; | A 3 - 6 %Spectr. B 15.3% C 2.7 - 4 %Spectr. |
| With sodium hydroxide; copper(II) hydroxide In water at 95℃; for 20h; | A 90.3 %Spectr. B 4.5 %Spectr. C 4.6 %Spectr. |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; copper In water at 95℃; for 6h; | A 84.9 %Spectr. B 15.1% |
| With sodium hydroxide; copper In water at 95℃; for 6h; | A 92.3 %Spectr. B 7.7% |
| With sodium hydroxide; copper In water at 95℃; for 1.5h; | A 90.4 %Spectr. B 6.2% |
- 173313-25-2
di-(4-methoxy-1-naphthyl) methylphosphate
A
- 993-13-5
methylphosphonic acid
B
- 19817-09-5
4,4'-dimethoxy-1,1'-binaphthyl
| Conditions | Yield |
|---|---|
| With dichloro-acetic acid In acetonitrile Quantum yield; Rate constant; Mechanism; Irradiation; | A 12% B 7% |
| With dichloro-acetic acid In tetrahydrofuran for 1h; Quantum yield; Further Variations:; Reagents; Elimination; Irradiation; |
| Conditions | Yield |
|---|---|
| With dichloro-acetic acid In acetonitrile Quantum yield; Rate constant; Mechanism; Irradiation; | A 10% B 7% |
| With dichloro-acetic acid In tetrahydrofuran for 1h; Quantum yield; Further Variations:; Reagents; Elimination; Irradiation; |
| Conditions | Yield |
|---|---|
| With water |
| Conditions | Yield |
|---|---|
| With nitric acid |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With sodium hypophosphite; ethanol Oxydation des Reaktionsprodukts mit KMnO4 in Wasser; |
Methylphosphonate Specification
The Phosphonic acid,P-methyl- with CAS registry number of 993-13-5 is also known as Methylphosphonate. The IUPAC name is Methylphosphonic acid. It belongs to product categories of Organic Building Blocks; Phosphonic/Phosphinic Acids; Phosphorus Compounds. Its EINECS registry number is 237-027-4. In addition, the formula is CH5O3P and the molecular weight is 96.02. This chemical is a white crystal or flake that incompatible with strong oxidizing agents, strong bases. What's more, it may destroy living tissue on contact that should be sealed in cool, dry place away from oxidants, water and alkali.
Physical properties about Phosphonic acid,P-methyl- are: (1)ACD/LogP: -2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.97; (4)ACD/LogD (pH 7.4): -5.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)Index of Refraction: 1.431; (12)Molar Refractivity: 16.62 cm3; (13)Molar Volume: 64.2 cm3; (14)Surface Tension: 58.4 dyne/cm; (15)Density: 1.495 g/cm3; (16)Flash Point: 114.2 °C; (17)Enthalpy of Vaporization: 55.39 kJ/mol; (18)Boiling Point: 265.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00269 mmHg at 25 °C.
Preparation of Phosphonic acid,P-methyl-: it is prepared by hydrolysis reaction of methylphosphonic acid dimethyl ester. The reaction needs reagent aq. HCl with other condition of heating for 3 hours. The yield is about 96%.
Uses of Phosphonic acid,P-methyl-: it is used to produce methyl-phosphonic acid dichloride by chlorination. The reaction occurs with reagent PCl5 and other condition of heating for 14 hours. The yield is about 81%.
When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed and it causes burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CP(=O)(O)O
2. InChI: InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
3. InChIKey: YACKEPLHDIMKIO-UHFFFAOYSA-N
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