1-(2-Chloroethyl)azepane hydrochloride supplier

Name
2-(HEXAMETHYLENEIMINO)ETHYL CHLORIDE HYDROCHLORIDE
EINECS 247-733-4
CAS No. 26487-67-2
Article Data2
CAS DataBase
Density 0.984g/cm3
Solubility
Melting Point 208-210 °C
Formula C₈H₁₇Cl₂N
Boiling Point 213.3 °C at 760 mmHg
Molecular Weight 198.136
Flash Point 82.8 °C
Transport Information UN 2811
Appearance
Safety 22-26-36/37/39
Risk Codes 20/22-36/37-39
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Azepine,1-(2-chloroethyl)hexahydro-, hydrochloride (8CI,9CI);Hexamethylenimine,1-(2-chloroethyl)-, hydrochloride (6CI,7CI);1-(2-Chloroethyl)-azacycloheptanehydrochloride;1-(2-Chloroethyl)hexahydro-1H-azepine hydrochloride;1-(2-Chloroethyl)hexamethyleneimine hydrochloride;2-(Hexamethyleneimino)ethylchloride hydrochloride;b-(Hexahydro-1H-azepin-1-yl)ethyl chloride hydrochloride;
PSA 3.24000
LogP 2.84110

1-(2-Chloroethyl)azepane hydrochloride Specification

This chemical is called 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride, and it can also be named as 1-(2-chloroethyl)azepanium chloride. With the CAS registry number of this chemical is 26487-67-2, its product category is Miscellaneous. In addition, this chemical should be sealed in the cool and dry plcace, away from water vapor and moisture.

Other characteristics of the 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride can be summarised as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.98; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 35.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2 ; (12)Flash Point: 82.8 °C; (13)Enthalpy of Vaporization: 44.97 kJ/mol; (14)Boiling Point: 213.3 °C at 760 mmHg; (15)Vapour Pressure: 0.165 mmHg at 25°C.

Uses of this chemical: The 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride could react with 6-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-2H-pyridazin-3-one, and obtain the 2-(2-azepan-1-yl-ethyl)-6-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-2H-pyridazin-3-one. This reaction needs the reagents of NaH, aq. benzyltriethylammonium chloride, and the solvent of CHCl₃. The yield is 70 %. In addition, this reaction should be taken for 4 hours.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00612,

Product Name

2-(HEXAMETHYLENEIMINO)ETHYL CHLORIDE HYDROCHLORIDE

1-(2-Chloroethyl)azepane hydrochloride Specification

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