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| CAS No.: | 813-77-4 |
|---|---|
| Name: | Dimethyl phosphorochloridate |
| Article Data: | 15 |
| Molecular Structure: | |
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|
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| Formula: | C2H6ClO3P |
| Molecular Weight: | 144.495 |
| Synonyms: | Methylphosphorochloridate (6CI,7CI);Chlorodimethoxyphosphine oxide;Chlorodimethylphosphate;Dimethoxyphosphinic chloride;Dimethylchlorophosphate;Dimethyl chlorophosphonate;Dimethyl phosphochloridate;Dimethyl phosphorochloridate;Dimethyl phosphorochloride;Dimethyl phosphorylchloridate;Dimethylphosphoryl chloride;O,O-Dimethyl phosphorochloridate;O,O-Dimethyl phosphorylchloridate;O,O-Dimethylphosphoryl chloride;Phosphorochloridic dimethyl ester; |
| Density: | 1.315 g/cm3 |
| Boiling Point: | 162.7 °C at 760 mmHg |
| Flash Point: | >230 °F |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 26/27/28-34 |
| Safety: | 26-36/37/39-45-7/9 |
| Transport Information: | UN 2927 6.1/PG 1 |
| PSA: | 45.34000 |
| LogP: | 1.62610 |
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Specification
The CAS register number of Dimethyl phosphorochloridate is 813-77-4. It also can be called as Methyl phosphorochloridate and the IUPAC name about this chemical is [chloro(methoxy)phosphoryl]oxymethane. The molecular formula about this chemical is C2H6ClO3P and molecular weight is 144.49. It belongs to the following product categories, such as Phospholipids - 13C & 2H; Phosphorylating and Phosphitylating Agents and so on. This chemical can be used in pesticides to synthesize the organic phosphorus insecticides.
Physical properties about Dimethyl phosphorochloridate are: (1)ACD/LogP: 0.15; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.77; (7)ACD/KOC (pH 7.4): 28.77; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 45.34Å2; (11)Index of Refraction: 1.398; (12)Molar Refractivity: 26.52 cm3; (13)Molar Volume: 109.8 cm3; (14)Polarizability: 10.51x10-24cm3; (15)Surface Tension: 32.2 dyne/cm; (16)Enthalpy of Vaporization: 38.28 kJ/mol; (17)Boiling Point: 162.7 °C at 760 mmHg; (18)Vapour Pressure: 2.8 mmHg at 25°C.
Phosphorus trichloride can react with Methanol to produce Dimethyl phosphite, then reacts with chlorine to get Dimethyl phosphorochloridate.
Preparation: this chemical can be prepared by methanol. This reaction will need reagent PCl3, SO2Cl2. The yield is about 63%.
Uses of Dimethyl phosphorochloridate: it can be used to produce aziridin-1-yl-phosphonic acid dimethyl ester with aziridine. This reaction will need reagent triethylamine and benzene.
When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation, in contact with skin and if swallowed. It can cause burns. If you want to store this chemical, please keep container tightly closed and keep container in a well-ventilated place. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: ClP(=O)(OC)OC
(2)InChI: InChI=1/C2H6ClO3P/c1-5-7(3,4)6-2/h1-2H3
(3)InChIKey: NGFFLHMFSINFGB-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C2H6ClO3P/c1-5-7(3,4)6-2/h1-2H3
(5)Std. InChIKey: NGFFLHMFSINFGB-UHFFFAOYSA-N