Bis(2-chloroethyl)amine hydrochloride
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Bis(2-chloroethyl)amine hydrochloride
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CAS No:
821-48-7
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Formula:
C4H9Cl2N.ClH
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Chemical Name:
Bis(2-chloroethyl)amine hydrochloride
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Synonyms:
Ethanamine,2-chloro-N-(2-chloroethyl)-,hydrochloride (1:1);Diethylamine,2,2′-dichloro-,hydrochloride;Ethanamine,2-chloro-N-(2-chloroethyl)-,hydrochloride;NSC 10873;Nornitrogen mustard hydrochloride;2,2′-Dichlorodiethylamine hydrochloride;Bis(β-chloroethyl)amine hydrochloride;Bis(2-chloroethyl)amine hydrochloride;N,N-Bis(2-chloroethyl)amine hydrochloride;β,β′-Dichlorodiethylamine hydrochloride;2-Chloro-N-(2-chloroethyl)ethanamine hydrochloride;Bis(2-chloroethyl)ammonium chloride;Leo 72a;1,5-Dichloro-3-azapentane hydrochloride;Di(2-chloroethyl)amine hydrochloride;Bi(2-chloroethyl)amine hydrochloride;117336-09-1
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CAS No:
Characteristics
12
2.24650
White to beige Crystalline Powder
1.125 g/cm3
210 °C
204.2ºC at 760 mmHg
77.3ºC
H2O: soluble
Store below +30°C.
Peritoneal-rat LD50: 100 mg/kg; subcutaneous-mouse LD50: 20 mg/kg
Flammable; burning produces toxic nitrogen oxides, chloride and hydrogen chloride fumes
Safety Information
III
8
2811
3
36/37/38-36-34
26-45-36/37/39-27
IA1225000
Xi,T,C
Treasury is ventilated, low temperature and dry; stored separately from food materials
Irritant/Toxic
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
Bis(2-chloroethyl)amine hydrochloride Use and Manufacturing
By diethanolamine and thionyl chloride reaction. Dissolve thionyl chloride in chloroform and add a mixture of diethanolamine and chloroform dropwise below 0°C. Control the drop acceleration to maintain the temperature at -4-6°C. After the addition, keep warm and stir for 30 min. Stir at room temperature for another 1h and heat to 60-65°C. After all crystals have precipitated, add absolute ethanol and heat to reflux to dissolve all. Pour out while hot, let it cool down naturally, and precipitate crystals. Filter the next day and wash twice with chloroform or absolute ethanol. Dry to get the finished product, the yield is 76%.
A cytotoxic metabolite of Cyclophosphamide; a deuterated analog of Nor-nitrogen mustard.
Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1): ACTIVE
Computed Properties
Molecular Weight:178.48
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:176.987882
Monoisotopic Mass:176.987882
Topological Polar Surface Area:16.6
Heavy Atom Count:8
Complexity:28.9
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Bis(2-chloroethyl)amine hydrochloride
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