| Identification | More | [Name]
2-(HEXAMETHYLENEIMINO)ETHYL CHLORIDE HYDROCHLORIDE | [CAS]
26487-67-2 | [Synonyms]
2-CHLOROETHYLHEXAMETHYLENE IMINE HCL
2-CHLOROETHYLHEXAMETHYLENEMINE HYDROCHLORIDE
2-(HEXAMETHYLENEIMINO)ETHYL CHLORIDE HYDROCHLORIDE
N-(2-CHLOROETHYL)HEXAHYDRO-1H-AZEPINE HYDROCHLORIDE
1-(2-chloroethyl)-hexahydro-1h-azepinehydrochloride
hexahydro-1-(2-chloroethyl)-1h-azepinhydrochloride
N-(2-chloroethyl)perhydroazepine hydrochloride
1-(2-Chloroethyl)azepane hydrochloride
2-ChloroethylhexamethyleneImineHcl99%
2-Chloroethylhexamethylene Imine Hcl 99%
N-(2-Chloroethyl)azepane hydrochloride.
1-(2-Chloroethyl)azepane hydrochloride 98%
2-(hexamethyleneimino)ethyl chloride monohydrochloride
1-(2-Chloroethyl)-1H-hexahydroazepine Hydrochloride | [EINECS(EC#)]
247-733-4 | [Molecular Formula]
C8H17Cl2N | [MDL Number]
MFCD00012842 | [Molecular Weight]
198.13 | [MOL File]
26487-67-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
208-210°C | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
powder to crystal | [color ]
White to Almost white | [Sensitive ]
Hygroscopic | [BRN ]
3680388 | [InChI]
InChI=1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H | [InChIKey]
ZQDSOUPBYJIPNM-UHFFFAOYSA-N | [SMILES]
N1(CCCl)CCCCCC1.Cl | [CAS DataBase Reference]
26487-67-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/22:Harmful by inhalation and if swallowed .
R36/37:Irritating to eyes and respiratory system .
R39:Danger of very serious irreversible effects. | [Safety Statements ]
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
2811 | [RTECS ]
CM3185000 | [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29339900 | [Toxicity]
mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00612, |
| Hazard Information | Back Directory | [Uses]
1-(2-Chloroethyl)azepane hydrochloride is a key intermediate of bazedoxifene and setastine.
| [Synthesis]
General procedure for the synthesis of 2-(cyclohexylimino)ethyl chloride hydrochloride from 1-(2-chloroethyl)azepane: 165.9 g of isopropanol was added to the reaction system, and dry hydrogen chloride gas was slowly vented under stirring until the pH of the reaction system was ≤2.5 when the venting was stopped. The reaction mixture was heated to a maximum of 80 °C with continuous stirring for 30 minutes. Subsequently, 2.8 g of activated carbon was added and stirring was continued for 30 minutes. Upon completion of the reaction, thermal filtration was performed to remove the activated carbon. The filtrate was cooled to 0-5°C and left to crystallize for 8 hours. Upon completion of crystallization, the solid product was collected by filtration and dried to give 53.1 g of N-(2-chloroethyl)hexamethyleneimine hydrochloride in 84.5% yield. The purity of the product N-(2-chloroethyl)hexamethyleneimine hydrochloride was tested to be 98.6%. | [References]
[1] Patent: CN104693144, 2016, B. Location in patent: Paragraph 0030; 0033 |
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