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CAS No.: | 677-43-0 |
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Name: | N,N-DIMETHYLPHOSPHORAMIDODICHLORIDATE |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C2H6Cl2NOP |
Molecular Weight: | 161.956 |
Synonyms: | Phosphoramidicdichloride, dimethyl- (6CI,7CI,8CI,9CI);(Dimethylamido)phosphoric dichloride;Dichloro(dimethylamino)phosphine oxide;Dichlorophosphoric dimethylamide;Dimethylamidophosphoric acid dichloride;Dimethylphosphoramidic dichloride;Dimethylphosphorodichloridic amide;N,N-Dimethylaminophosphoryl dichloride;N,N-Dimethylphosphoramidic dichloride;NSC 203138; |
EINECS: | 217-592-3 |
Density: | 1.362 g/mL at 20 °C(lit.) |
Boiling Point: | 168.7 °C at 760 mmHg |
Flash Point: | 55.8 °C |
Hazard Symbols: | C |
Risk Codes: | 34-37 |
Safety: | 26-36/37/39 |
Transport Information: | UN 3265 8 |
PSA: | 30.12000 |
LogP: | 2.13370 |
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The Phosphoramidicdichloride, N,N-dimethyl-, with the CAS registry number 677-43-0, is also known as Phosphoramidic dichloride, dimethyl-. Its EINECS registry number is 217-592-3. This chemical's molecular formula is C2H6Cl2NOP and molecular weight is 161.954901. Its IUPAC name is called N-dichlorophosphoryl-N-methylmethanamine. The product should be sealed and stored in cool and dry place.
Physical properties of Phosphoramidicdichloride, N,N-dimethyl-: (1)ACD/LogP: 0.04; (2)ACD/LogD (pH 5.5): 0.04; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.02; (7)ACD/KOC (pH 7.4): 25.02; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.458; (11)Molar Refractivity: 31.6 cm3; (12)Molar Volume: 115.7 cm3; (13)Surface Tension: 37.5 dyne/cm; (14)Density: 1.399 g/cm3; (15)Flash Point: 55.8 °C; (16)Enthalpy of Vaporization: 40.51 kJ/mol; (17)Boiling Point: 168.7 °C at 760 mmHg; (18)Vapour Pressure: 1.6 mmHg at 25°C.
Preparation: this chemical can be prepared by tetra-N-methyl-methanediamine. This reaction will need reagent POCl3 and solvent benzene. The yield is about 82%.
Uses of Phosphoramidicdichloride, N,N-dimethyl-: it can be used to produce dimethyl-amidophosphoryl fluoride at temperature of 0 - 20 °C. This reaction is a kind of Substitution. It will need reagent NEt3, triethylamine trihydrofluoride and solvent diethyl ether with reaction time of 15 hours. The yield is about 42%.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)P(=O)(Cl)Cl
(2)InChI: InChI=1S/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3
(3)InChIKey: YNHXBEVSSILHPI-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 7500ug/kg (7.5mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 395, 1955. |