Bis(2-chloroethyl)aminophosphoric dichloride supplier

Name
BIS-(2-CHLOROETHYL)AMINOPHOSPHONIC DICHLORIDE
EINECS 683-015-0
CAS No. 127-88-8
Article Data43
CAS DataBase
Density 1.509 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bis(2-chloroethyl)phosphoramidic dichloride;2-Chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;
PSA 30.12000
LogP 3.35170

Synthetic route

: 821-48-7
bis-(2-chloroethyl)amine hydrochloride

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

Conditions

Conditions	Yield
With trichlorophosphate for 75h; Heating;	100%
With trichlorophosphate	100%
With trichlorophosphate Heating;	93%

: 334-22-5
N,N-bis(chloro-2-ethyl)amine

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

Conditions

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;

2.2'-dichloro-diethylamine hydrochloride: 2.2'-dichloro-diethylamine hydrochloride

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

Conditions

Conditions	Yield
With pyridine; trichlorophosphate

: 24948-83-2
N,N-dichloroethylamine

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate In tetrahydrofuran; toluene

: 288-32-4
1H-imidazole

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 2- N,N'-diimidazolyl phosphoramide

Conditions

Conditions	Yield
With triethylamine In benzene at 15 - 20℃; for 15h;	99%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 75-04-7
ethylamine

: 21099-84-3
N,N-bis(2-chloroethyl)-N',N"-diethylphosphoric triamide

Conditions

Conditions	Yield
In diethyl ether at -80 - 20℃; Substitution;	97%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 100-46-9
benzylamine

: 256496-40-9
N,N-bis(2-chloroethyl)-N',N"-dibenzylphosphoric triamide

Conditions

Conditions	Yield
In diethyl ether at -70 - 20℃; for 142h; Substitution;	97%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 120578-81-6
erythro-5,6-bis(4-methoxyphenyl)-N-(3-hydroxypropyl)-1-octylamine

: 120578-82-7
N,N-bis(2-chloroethyl)-N'-(erythro-5,6-bis(4-methoxyphenyl)-1-octyl)-N',O-propylenephosphoric acid ester diamide

Conditions

Conditions	Yield
With pyridine for 12h;	94%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 3-[(5-hydroxymethyl)-2-nitro-1H-imidazo-1-N′-yl]-N,N-dimethylpropyl-1-amine borane complex

: 4-{5-[({amino[bis(2-chloroethyl)amino]phosphoryl}oxy)methyl]-2-nitro-1H-imidazol-1-N′-yl}-N,N-dimethylpropan-1-amine borane complex

Conditions

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%

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%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 97-23-4
2,2'-methylenebis(4-chlorophenol)

: Bis-(2-chloro-ethyl)-(2,10-dichloro-6-oxo-12H-5,7-dioxa-6λ5-phospha-dibenzo[a,d]cycloocten-6-yl)-amine

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 33℃; for 3h;	92%
With triethylamine In toluene at 50 - 60℃; for 5h;	72%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 3236-63-3
2,2'-methylenebis(4-methylphenol)

: Bis-(2-chloro-ethyl)-(2,10-dimethyl-6-oxo-12H-5,7-dioxa-6λ5-phospha-dibenzo[a,d]cycloocten-6-yl)-amine

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 33℃; for 3h;	91%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 194665-89-9
2-aminomethyl-3-hydroxypyridine

: bis-(2-chloro-ethyl)-(2-oxo-3,4-dihydro-2H-1-oxa-3,5-diaza-2λ5-phospha-naphthalen-2-yl)-amine

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 20 - 60℃; Condensation;	90%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 108-39-4
3-methyl-phenol

: 4798-72-5
C11H15Cl3NO2P

Conditions

Conditions	Yield
Stage #1: N,N-di(2-chloroethyl)amidophosphoric acid dichloride; 3-methyl-phenol In toluene at 0℃; for 0.333333h; Stage #2: With triethylamine In toluene at 20℃; for 9h; Reflux;	90%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 2467-02-9
Bis(2-hydroxyphenyl)methane

: Bis-(2-chloro-ethyl)-(6-oxo-12H-5,7-dioxa-6λ5-phospha-dibenzo[a,d]cycloocten-6-yl)-amine

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 34℃; for 2h;	89%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 74-89-5
methylamine

: 20796-40-1
N,N-bis(2-chloroethyl)-N',N"-dimethylphosphoric triamide

Conditions

Conditions	Yield
In diethyl ether at -80 - 20℃; Substitution;	89%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 616-30-8, 13552-31-3
3-Amino-1,2-propanediol

: 904214-05-7
2--5-(hydroxymethyl)-1,3,2-oxazaphospholidine

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 0℃; for 4h;	88%
With triethylamine In isopropyl alcohol at 20℃; for 24h;	54%
With triethylamine In N,N-dimethyl-formamide Ambient temperature; Yield given;

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 211567-30-5
cyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-β-D-allopyranoside

: 211567-33-8
Bis-(2-chloro-ethyl)-((3aR,4R,5aR,8R,9aR,9bS)-4-cyclohexyloxy-2-oxo-8-phenyl-octahydro-1,5,7,9-tetraoxa-3-aza-2λ5-phospha-cyclopenta[a]naphthalen-2-yl)-amine

Conditions

Conditions	Yield
In dichloromethane 0 deg C, then room temp., overnight;	87%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 150-76-5
4-methoxy-phenol

: 42345-97-1
C11H15Cl3NO3P

Conditions

Conditions	Yield
Stage #1: N,N-di(2-chloroethyl)amidophosphoric acid dichloride; 4-methoxy-phenol In toluene at 0℃; for 0.333333h; Stage #2: With triethylamine In toluene at 20℃; for 9h; Reflux;	87%
With triethylamine In tetrahydrofuran at 70℃;	68%
With triethylamine In tetrahydrofuran at 70℃; Reflux;	68%
With 1,2,3-triazole; triethylamine In acetonitrile at 0 - 20℃;
With 1,2,4-Triazole; triethylamine In acetonitrile at 20℃; for 5h;

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: C20H28O7

: C28H40Cl4N2O9P2

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 7h;	87%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 211567-31-6
1-octyl 2-amino-4,6-O-benzylidene-2-deoxy-β-D-allopyranoside

: 211567-34-9
Bis-(2-chloro-ethyl)-((3aR,4R,5aR,8R,9aR,9bS)-4-octyloxy-2-oxo-8-phenyl-octahydro-1,5,7,9-tetraoxa-3-aza-2λ5-phospha-cyclopenta[a]naphthalen-2-yl)-amine

Conditions

Conditions	Yield
In dichloromethane 0 deg C, then room temp., overnight;	85%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 150-19-6
O-methylresorcine

: 1254975-82-0
C11H15Cl3NO3P

Conditions

Conditions	Yield
Stage #1: N,N-di(2-chloroethyl)amidophosphoric acid dichloride; O-methylresorcine In toluene at 0℃; for 0.333333h; Stage #2: With triethylamine In toluene at 20℃; for 9h; Reflux;	84%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: C22H27NO9

: C26H33Cl2N2O10P

Conditions

Conditions	Yield
With triethylamine In acetone at 0 - 20℃; for 8h; Inert atmosphere;	84%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 1096-84-0
bis(2-hydroxy-1-naphthyl)methane

: 8-bis(2-chloroethyl)amino-16H-dinaphto[2,1-d:1',2'-g]-1,3,2-dioxaphosphocin-8-oxide

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane; ethyl acetate at 32℃; for 2h;	82%
With triethylamine In toluene at 50 - 55℃; for 6h;	68%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 20485-35-2
3-hydroxy-4-aminomethylpyridine

: bis-(2-chloro-ethyl)-(2-oxo-3,4-dihydro-2H-1-oxa-3,7-diaza-2λ5-phospha-naphthalen-2-yl)-amine

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; toluene at 20 - 60℃; Condensation;	82%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 1517-05-1
2-azidoethanol

: C8H16Cl2N7O3P

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 48h;	82%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 2,10-dichloro-6-trichloromethyl-dibenzo<1,3,6,2>dioxathiaphosphocin-6-oxide

: 6-bis(2-chloroethyl)amino-2,10-dichloro-dibenzo<1,3,6,2>dioxathiaphosphocin-6-oxide

Conditions

Conditions	Yield
With triethylamine In toluene at 50 - 60℃; for 8h;	81%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: C23H32O7

: C24H34Cl2NO8P

Conditions

Conditions	Yield
Stage #1: N,N-di(2-chloroethyl)amidophosphoric acid dichloride; C23H32O7 With triethylamine In dichloromethane at 0 - 20℃; for 7h; Stage #2: With hydrogenchloride In dichloromethane; water at 20℃; for 2h;	81%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 367-12-4
2-fluorophenol

: 41346-40-1
chloroanhydride of the o-fluorophenyl ester of N,N-bis(2-chloroethyl)amidophosphoric acid

Conditions

Conditions	Yield
With triethylamine In benzene 1) heating, 3 h, 2) r.t.,;	80%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 835-11-0
2,2'-dihydroxybenzophenone

: 6-bis(2-chloroethyl)amino-12-oxo-dibenzo[d,g][1,3,2]dioxaphosphocin 6-oxide

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 33℃; for 3h;	80%
With triethylamine In toluene at 0 - 50℃;	62%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: cis-1,2-dihydroxytanshinone IIA

: C23H24Cl2NO6P

Conditions

Conditions	Yield
With triethylamine In chloroform at 0 - 20℃; for 8h;	80%

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 106-44-5
p-cresol

: 4798-70-3
C11H15Cl3NO2P

Conditions

Conditions	Yield
With triethylamine In benzene 1) heating, 3 h, 2) r.t.,;	78%
With triethylamine In tetrahydrofuran at 70℃;	61%
With triethylamine In tetrahydrofuran at 70℃; Reflux;	61%
With 1,2,3-triazole; triethylamine In acetonitrile at 0 - 20℃;
With 1,2,4-Triazole; triethylamine In acetonitrile at 20℃; for 5h;

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 371-41-5
4-Fluorophenol

: 41346-39-8
chloroanhydride of the p-fluorophenyl ester of N,N-bis(2-chloroethyl)amidophosphoric acid

Conditions

Conditions	Yield
With triethylamine In benzene 1) heating, 3 h, 2) r.t.,;	78%
With triethylamine In tetrahydrofuran at -5 - 0℃; for 6h;

: 127-88-8
N,N-di(2-chloroethyl)amidophosphoric acid dichloride

: 195006-97-4
dodecyl 2-amino-(R)-4,6-O-benzylidene-2-deoxy-β-D-allopyranoside

: 211567-35-0
Bis-(2-chloro-ethyl)-((3aR,4R,5aR,8R,9aR,9bS)-4-dodecyloxy-2-oxo-8-phenyl-octahydro-1,5,7,9-tetraoxa-3-aza-2λ5-phospha-cyclopenta[a]naphthalen-2-yl)-amine

Conditions

Conditions	Yield
In dichloromethane 0 deg C, then room temp., overnight;	78%

Bis(2-chloroethyl)aminophosphoric dichloride Specification

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

Product Name

BIS-(2-CHLOROETHYL)AMINOPHOSPHONIC DICHLORIDE

Synthetic route

Bis(2-chloroethyl)aminophosphoric dichloride Specification

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