1-Chlorocyclohexene

Base Information

• Chemical Name: 1-Chlorocyclohexene
• CAS No.: 930-66-5
• Molecular Formula: C6H9 Cl
• Molecular Weight: 116.59
• Hs Code.: 2903890090
• NSC Number: 148275
• DSSTox Substance ID: DTXSID0073243
• Nikkaji Number: J113.113C
• Wikidata: Q72518064
• Mol file: 930-66-5.mol

Synonyms:1-CHLOROCYCLOHEXENE;930-66-5;1-Chlorocyclohex-1-ene;Cyclohexene, 1-chloro-;1-chloro-cyclohexene;1-Chloro-1-cyclohexene;88967-57-1;NSC 148275;C6H9Cl;chloro-cyclohexene;NSC148275;1-chloranylcyclohexene;1-Chlorocyclohexene-1;1-Chloro-1-cyclohexene #;SCHEMBL423877;DTXSID0073243;MFCD00013773;AKOS000283815;AM85974;Cyclohexene, 1-chloro- (8CI)(9CI);FD10699;NSC-148275;FT-0633122;EN300-250920;A844434;InChI=1/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H

Chemical Property of 1-Chlorocyclohexene

Chemical Property:

• Vapor Pressure: 6.92mmHg at 25°C
• Refractive Index: 1.4797
• Boiling Point: 142.7°C at 760 mmHg
• Flash Point: 35.9°C
• PSA: 0.00000
• Density: 1.02g/cm³
• LogP: 2.68310
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 116.0392780
• Heavy Atom Count: 7
• Complexity: 84.2

Purity/Quality:

99%, ^*data from raw suppliers

1-Chlorocyclohexene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=CC1)Cl

Technology Process of 1-Chlorocyclohexene

There total 31 articles about 1-Chlorocyclohexene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

cyclohexene (110-83-8) → 1-chlorocyclohexene (930-66-5)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at -10 - 0 ℃; for 10h; Large scale;

Reference yield: 85.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-chlorocyclohexene (930-66-5)

Guidance literature:

With phosphorus pentachloride; In dichloromethane; Inert atmosphere; Cooling; Reflux;

DOI:10.1002/chem.201001814

Reference yield: 49.4%

tert-butylhypochlorite (507-40-4) + cyclohexene (110-83-8) → 3-chloro-cyclohexene (2441-97-6) + 1-chlorocyclohexene (930-66-5) + trans-1-chloro-2-methoxycyclohexane (18424-56-1) + trans-2-chlorocyclohexanol (6628-80-4) + trans-1-chloro-2-fluorocyclohexane (20421-40-3) + trans-2-Chlorcyclohexyl-tert.butylether (51286-79-4,99175-03-8,145354-89-8)

Guidance literature:

With xenon difluoride; In tetrachloromethane; Mechanism; Product distribution; also with triethylcarbinylhypochlorite;

DOI:10.1016/S0040-4039(00)60891-2

upstream raw materials:

quinoline

(+/-)-1r,2t-dibromo-1-chloro-cyclohexane

ethanol

(+/-)-cis-1-bromo-2-chloro-cyclohexane

Downstream raw materials:

3-bromo-1-chloro-cyclohexene

1-Chlor-7-oxa-bicyclo<4.1.0>heptan

6-bromo-1-chlorocyclohex-1-ene

3-chloro-2-cyclohexenone

Refernces

• 1、 -. "Preparation method of heteroatom-containing cyclohexene halide". Paragraph 0048-0050. . Retrieved 2019/12/25.
• 2、 -. "The continuous reaction device and method of using the continuous composite (by machine translation)". Paragraph 0179. . Retrieved 2017/01/02.