2441-97-6

Basic information

• Product Name: 3-CHLOROCYCLOHEXENE
• Synonyms: 3-CHLOROCYCLOHEXENE;3-CHLOROCYCLOHEXENE-1;1,2,3,4-TETRAHYDROCHLOROBENZENE
• CAS NO: 2441-97-6
• Molecular Formula: C₆H₉Cl
• Molecular Weight: 116.59
• Mol File: 2441-97-6.mol
• Article Data: 41

Chemical Properties

• Boiling Point: 146 °C
• Flash Point: 27.4°C
• Appearance: /
• Density: 0,99 g/cm3
• Vapor Pressure: 5.59mmHg at 25°C
• Refractive Index: 1.4880-1.4920
• Storage Temp.: 0-10°C
• CAS DataBase Reference: 3-CHLOROCYCLOHEXENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLOROCYCLOHEXENE(2441-97-6)
• EPA Substance Registry System: 3-CHLOROCYCLOHEXENE(2441-97-6)

Safety Data

• Statements: 10-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 1993
• RTECS: GW4605000
• Hazardous Substances Data: 2441-97-6(Hazardous Substances Data)

Usage

General Description

3-Chlorocyclohexene is a chemical compound with the molecular formula C6H9Cl. It is a colorless liquid with a pungent odor and is insoluble in water but soluble in organic solvents. 3-Chlorocyclohexene is primarily used as an intermediate in the synthesis of other chemicals, such as pharmaceuticals and pesticides. It is also used as a solvent and in research and development. The compound is considered toxic if ingested, inhaled, or absorbed through the skin, and precautions should be taken when handling it. 3-Chlorocyclohexene is also a potential environmental hazard and its release into the environment should be avoided.

InChI:InChI=1/C6H9Cl/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2

Upstream product

• 128-09-6 N-chloro-succinimide 
• 110-83-8 cyclohexene 
• 1165952-91-9 cyclohexa-1,3-diene 
• 507-40-4 tert-butylhypochlorite 
• 1521-51-3 rac-3-bromocyclohexene 
• 33815-66-6 cis-2-chlorocyclohexyl acetate 
• 33815-66-6 trans-2-chlorocyclohexyl acetate 
• 13698-16-3 ethyl N,N-dichlorocarbamate 
• 7647-01-0 hydrogenchloride 
• 64-19-7 acetic acid 
• 100-34-5 benzene diazonium chloride 
• 67-64-1 acetone 
• 56-23-5 tetrachloromethane 
• 110-22-5 diacetyl peroxide 

Downstream Products

• 591-48-0 3-methyl-1-cyclohexene 
• 3983-08-2 3-isopropylcyclohexene 
• 3983-06-0 3-propyl-1-cyclohexene 
• 4714-10-7 (2-cyclohexen-1-ylmethyl)-benzene 
• 2699-13-0 3-methoxycyclohexene 
• 51122-94-2 2-ethoxycyclohex-1-ene 
• 1165952-91-9 cyclohexa-1,3-diene 
• 76644-52-5 rac-3-acetoxycyclohexene 
• 84248-95-3 1-(cyclohex-2-en-1-ylethynyl)benzene 
• 18955-93-6 1-(2'-cyclohexenyl)-2-propanone 
• 15232-96-9 3-phenyl-1-cyclohexene 
• 930-68-7 cyclohexenone 
• 15129-33-6 bis(cyclohex-2-en-1-yl) ether 
• 822-67-3 Cyclohex-2-enol 

Relevant articles and documents

Copper-catalyzed hydroallylation of allenes employing hydrosilanes and allyl chlorides

The hydroallylation of allenes was developed by employing a hydrosilane and allyl chlorides in the presence of a copper catalyst. The reaction provided (E)-1,5-dienes mainly in good to high yields.

Trifluoromethylthiolation of 1, 3- and 1, 4-cyclohexadienes

Treatment of 1, 3-cyclohexadiene with CF3SCl at -80 furnishes 15 compounds. All but the two dimerized adducts arise from the free radical catalyzed addition of CF3S and Cl radicals to carbon-carbon double bonds. One dimerized product

Guanidine–Copper Complex Catalyzed Allylic Borylation for the Enantioconvergent Synthesis of Tertiary Cyclic Allylboronates

An enantioconvergent synthesis of chiral cyclic allylboronates from racemic allylic bromides was achieved by using a guanidine–copper catalyst. The allylboronates were obtained with high γ/α regioselectivities (up to 99:1) and enantioselectivities (up to 99 % ee), and could be further transformed into diverse functionalized allylic compounds without erosion of optical purity. Experimental and DFT mechanistic studies support an SN2′ borylation process catalyzed by a monodentate guanidine–copper(I) complex that proceeds through a special direct enantioconvergent transformation mechanism.

Chlorohydrination of allyl chloride with HCl and H2O2 catalyzed by hollow titanium silicate zeolite to produce dichloropropanol

Overall, over 95% of epichlorohydrin is industrially manufactured via the chlorohydrination route with hazardous Cl2 as a reagent, which brings serious operation and pollution problems. Herein, we describe a novel Cl2-free process for the synthesis of dichloropropanols from allyl chloride with H2O2 and HCl catalyzed by hollow titanium silicate zeolite under mild conditions. A high conversion and overall dichloropropanol selectivity exceeding 95% are simultaneously achieved, and the heterogeneous catalyst is highly stable and amenable for reuse. Comprehensive experimental and spectroscopic data suggest that the Lewis acidity of the framework Ti species has a synergistic effect with the Br?nsted acidity of HCl that promotes the epoxidation of allyl chloride and the ring opening of the epoxy groups.