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| CAS No.: | 6971-73-9 |
|---|---|
| Name: | 4-CHLOROANILIDOPHOSPHORYL DICHLORIDE |
| Molecular Structure: | |
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| Formula: | C6H5Cl3NOP |
| Molecular Weight: | 244.445 |
| Synonyms: | phosphoramidic dichloride, N-(4-chlorophenyl)-;4-Chloroanilidophosphoryl Dichloride; |
| Density: | 1.616 g/cm3 |
| Melting Point: | 105-107 °C |
| Boiling Point: | 313.6 °C at 760 mmHg |
| Flash Point: | 143.4 °C |
| PSA: | 38.91000 |
| LogP: | 4.41060 |
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Specification
The CAS register number of 4-chloro-N-dichlorophosphoryl-aniline is 6971-73-9. It also can be called as phosphoramidic dichloride, N-(4-chlorophenyl)- and the IUPAC name about this chemical is 4-chloro-N-dichlorophosphorylaniline. The molecular formula about this chemical is C6H5Cl3NOP and the molecular weight is 244.44.
Physical properties about 4-chloro-N-dichlorophosphoryl-aniline are: (1)ACD/LogP: 2.82; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 30.12Å2; (6)Index of Refraction: 1.613; (7)Molar Refractivity: 52.69 cm3; (8)Molar Volume: 151.2 cm3; (9)Polarizability: 20.89x10-24cm3; (10)Surface Tension: 54.6 dyne/cm; (11)Enthalpy of Vaporization: 55.46 kJ/mol; (12)Boiling Point: 313.6 °C at 760 mmHg; (13)Vapour Pressure: 0.000493 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-chloro-aniline; hydrochloride at heating. This reaction will need reagent POCl3. The reaction time is 3 hour(s). The yield is about 54%.
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Uses of 4-chloro-N-dichlorophosphoryl-aniline: it can be used to produce dimethyl N-p-chlorophenylphosphoramidate with methanol; sodium salt at ambient temperature. This reaction will need solvent diethyl ether with reaction time of 1 hours. The yield is about 57%.
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You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(NP(Cl)(Cl)=O)cc1
(2)InChI: InChI=1/C6H5Cl3NOP/c7-5-1-3-6(4-2-5)10-12(8,9)11/h1-4H,(H,10,11)
(3)InChIKey: VYDAADHFKRPPNY-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H5Cl3NOP/c7-5-1-3-6(4-2-5)10-12(8,9)11/h1-4H,(H,10,11)
(5)Std. InChIKey: VYDAADHFKRPPNY-UHFFFAOYSA-N