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Name |
Bis(2-chloroethyl)aminophosphoric dichloride |
EINECS | 683-015-0 |
CAS No. | 127-88-8 | Density | 1.509 g/cm3 |
PSA | 30.12000 | LogP | 3.35170 |
Solubility | N/A | Melting Point |
54 °C |
Formula | C4H8Cl4NOP | Boiling Point | 304.9 °C at 760 mmHg |
Molecular Weight | 258.899 | Flash Point | 138.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Bis(2-chloroethyl)phosphoramidic dichloride;2-Chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine; |
Article Data | 43 |
bis-(2-chloroethyl)amine hydrochloride
N,N-di(2-chloroethyl)amidophosphoric acid dichloride
Conditions | Yield |
---|---|
With trichlorophosphate for 75h; Heating; | 100% |
With trichlorophosphate | 100% |
With trichlorophosphate Heating; | 93% |
Conditions | Yield |
---|---|
With trichlorophosphate | |
With trichlorophosphate | |
With trichlorophosphate In dichloromethane at 20℃; Inert atmosphere; Cooling with ice; | |
With trichlorophosphate at 120℃; for 48h; | |
With hydrogenchloride; triethylamine; trichlorophosphate In dichloromethane; water at -20℃; Inert atmosphere; |
N,N-di(2-chloroethyl)amidophosphoric acid dichloride
Conditions | Yield |
---|---|
With pyridine; trichlorophosphate |
N,N-dichloroethylamine
N,N-di(2-chloroethyl)amidophosphoric acid dichloride
Conditions | Yield |
---|---|
With triethylamine; trichlorophosphate In tetrahydrofuran; toluene |
Conditions | Yield |
---|---|
With triethylamine In benzene at 15 - 20℃; for 15h; | 99% |
N,N-di(2-chloroethyl)amidophosphoric acid dichloride
ethylamine
N,N-bis(2-chloroethyl)-N',N"-diethylphosphoric triamide
Conditions | Yield |
---|---|
In diethyl ether at -80 - 20℃; Substitution; | 97% |
N,N-di(2-chloroethyl)amidophosphoric acid dichloride
benzylamine
N,N-bis(2-chloroethyl)-N',N"-dibenzylphosphoric triamide
Conditions | Yield |
---|---|
In diethyl ether at -70 - 20℃; for 142h; Substitution; | 97% |
N,N-di(2-chloroethyl)amidophosphoric acid dichloride
erythro-5,6-bis(4-methoxyphenyl)-N-(3-hydroxypropyl)-1-octylamine
N,N-bis(2-chloroethyl)-N'-(erythro-5,6-bis(4-methoxyphenyl)-1-octyl)-N',O-propylenephosphoric acid ester diamide
Conditions | Yield |
---|---|
With pyridine for 12h; | 94% |
N,N-di(2-chloroethyl)amidophosphoric acid dichloride
Conditions | Yield |
---|---|
Stage #1: 3-[(5-hydroxymethyl)-2-nitro-1H-imidazo-1-N′-yl]-N,N-dimethylpropyl-1-amine borane complex With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.0833333h; Inert atmosphere; Stage #2: N,N-di(2-chloroethyl)amidophosphoric acid dichloride In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #3: With ammonia In tetrahydrofuran at -78℃; for 0.0333333h; Inert atmosphere; | 93% |
N,N-di(2-chloroethyl)amidophosphoric acid dichloride
2,2'-methylenebis(4-chlorophenol)
Conditions | Yield |
---|---|
With triethylamine In ethyl acetate at 33℃; for 3h; | 92% |
With triethylamine In toluene at 50 - 60℃; for 5h; | 72% |
The Phosphoramidicdichloride, N,N-bis(2-chloroethyl)-, with the CAS registry number 127-88-8, is also known as Bis(2-chloroethyl)phosphoramidic dichloride. This chemical's molecular formula is C4H8Cl4NOP and molecular weight is 258.90. What's more, its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine.
Physical properties of Phosphoramidicdichloride, N,N-bis(2-chloroethyl)- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.13; (6)ACD/BCF (pH 7.4): 5.13; (7)ACD/KOC (pH 5.5): 112.12; (8)ACD/KOC (pH 7.4): 112.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 30.12 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 50.57 cm3; (15)Molar Volume: 171.5 cm3; (16)Polarizability: 20.04×10-24cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.509 g/cm3; (19)Flash Point: 138.2 °C; (20)Enthalpy of Vaporization: 54.53 kJ/mol; (21)Boiling Point: 304.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000847 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClP(Cl)(=O)N(CCCl)CCCl
(2)Std. InChI: InChI=1S/C4H8Cl4NOP/c5-1-3-9(4-2-6)11(7,8)10/h1-4H2
(3)Std. InChIKey: IQPMYTNILJQKBS-UHFFFAOYSA-N