28493-41-6

Basic information

• Product Name: 1-Chlorohexamethylenimine
• Synonyms: 1-Chloroazepane;1-Chlorohexahydro-1H-azepine;1-Chlorohexamethylenimine;N-chloroperhydroazepine
• CAS NO: 28493-41-6
• Molecular Formula: C₆H₁₂ClN
• Molecular Weight: 133.62
• Mol File: 28493-41-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 168 ºC
• Flash Point: 56 ºC
• Appearance: /
• Density: 1.05
• Vapor Pressure: 1.62mmHg at 25°C
• Refractive Index: 1.485
• CAS DataBase Reference: 1-Chlorohexamethylenimine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Chlorohexamethylenimine(28493-41-6)
• EPA Substance Registry System: 1-Chlorohexamethylenimine(28493-41-6)

Safety Data

• Hazardous Substances Data: 28493-41-6(Hazardous Substances Data)

Usage

General Description

1-Chlorohexamethylenimine is a chemical compound with the molecular formula C6H12ClN. It is a highly reactive and corrosive compound, commonly used as a biocide in industrial water treatment processes to control the growth of bacteria, fungi, and algae. It is also used as a disinfectant and preservative in some consumer products. 1-Chlorohexamethylenimine is a strong irritant to the skin, eyes, and respiratory system, and exposure to high concentrations can cause severe burns and respiratory tract irritation. It is important to handle this chemical with caution and to use proper protective equipment and ventilation when working with it.

InChI:InChI=1/C6H12ClN/c7-8-5-3-1-2-4-6-8/h1-6H2

Upstream product

• 111-49-9 hexamethylene imine 

Downstream Products

• 300704-22-7 methyl 2-(azepan-1-yl)-2-phenylacetate 

Relevant articles and documents

Phosphoramidates: Features of the formation mechanism and the relationship structure-bioaction

Mechanism of the synthesis of phosphoramidates by Todd-Atherton reaction is based on the primary interaction of a polyhaloalkane with the highly basic amine to form a 1:1 associate. The subsequent attack by the associate on the hydrophosphoryl compound of "symmetric" structure leads to the formation of the target compounds in high yields. The test of the effect of dialkyl hexamethylene- and dialkyl(pyridin-2-yl)-phosphoramidates in vitro against the strains of a number of the producents of pathogenic bacteria and mycotoxins showed that the high level of biological activity of the target compounds is correlated well with the physicochemical parameters characterizing their structure.

3-Hydroxy-1,5-dihydro-2H-pyrrol-2-ones as novel antibacterial scaffolds against methicillin-resistant Staphylococcus aureus

Herein, we report the synthesis and evaluation of 3-hydroxy-1,5-dihydro-2H-pyrrol-2-ones as antibacterial agents against methicillin-resistant S. aureus (MRSA) and methicillin-resistant S. epidermidis (MRSE). Lead compound 38 showed minimum inhibitory concentrations (MICs) of 8 and 4 μg/mL against MRSA and MRSE, respectively. Furthermore, compound 38 displayed a MIC of 8–16 μg/mL against linezolid-resistant MRSA. These molecules, previously underexplored as antibacterial agents, serve as a new scaffold for antimicrobial development.

Gasphase Reactions, 61. - Cycloalkanimines 2H-Azirine, 1-Azetidine, 1-Pyrroline, 1-Piperideine, and 3,4,5,6-Tetrahydro-2H-azepine: Preparation and Photoelectron Spectra

For preparation of the easily oligomerizing cycloalkanimines , the following gasphase reactions are optimized PE spectroscopically: for the three membered ring imine, 2H-azirine, the heterogeneous KOR dehydrochlorination of the 2-chloroethyl azide preceding the thermolysis of the resulting vinyl azide, and for the lager rings, 1-azetine (n=2), 1-pyrroline (n=3), 1-piperideine (n=4) as well as the seven-membered 3,4,5,6-tetrahydro-2H-azepine, the consecutive chlorination of the corresponding cycloalkylamine over solid N-chlorosuccinimide followed by KOR dehydrochlorination of the N-chloro derivative formed.The PE spectra of all cyclic alkanimines prepared are assigned based on geometry-optimized MNDO calculations, and their electronic structures are discussed by molecular state comparison with increasing ring size and with the isoelectronic series of the cycloalkenes.The thermal ring opening of 1-azetine to 2-azabutadiene is investigated by PE spectroscopic real-time gas analysis; its ionization pattern is assigned by comparison with other azabutadienes.