1,1,2,3,4,5,6-Heptachlorocyclohexane

Base Information

• Chemical Name: 1,1,2,3,4,5,6-Heptachlorocyclohexane
• CAS No.: 707-55-1
• Molecular Formula: C6H5 Cl7
• Molecular Weight: 325.277
• European Community (EC) Number: 211-899-6
• DSSTox Substance ID: DTXSID90924706
• Nikkaji Number: J126.529F
• Mol file: 707-55-1.mol

Synonyms:1,1,2,3,4,5,6-Heptachlorocyclohexane;Heptachlorocyclohexane;707-55-1;Cyclohexane, heptachloro-;Cyclohexane,1,1,2,3,4,5,6-heptachloro-;UNII-HT8VAG76BR;EINECS 211-899-6;12407-87-3;Cyclohexane, 1,1,2,3,4,5,6-heptachloro-;C6-H5-Cl7;HT8VAG76BR;C6H5Cl7;SCHEMBL8405901;DTXSID90924706;AKOS030255031;1.1.2.3.4.5.6-Heptachlor-cyclohexan

Chemical Property of 1,1,2,3,4,5,6-Heptachlorocyclohexane

Chemical Property:

• Vapor Pressure: 0.000409mmHg at 25°C
• Boiling Point: 326.5°C at 760 mmHg
• Flash Point: 151.4°C
• PSA: 0.00000
• Density: 1.67g/cm³
• LogP: 4.21090
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 323.818144
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

98%Min ^*data from raw suppliers

1,1,2,3,4,5,6-Heptachlorocyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C(C(C1Cl)Cl)(Cl)Cl)Cl)Cl)Cl

Technology Process of 1,1,2,3,4,5,6-Heptachlorocyclohexane

There total 18 articles about 1,1,2,3,4,5,6-Heptachlorocyclohexane 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: 7.0%

tetrachloromethane (56-23-5) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,1,1,5-tetrachloropent-3-ene (24331-49-5) + 1,1,1,9-tetrachloronona-3,7-diene (75286-62-3) + 1,1,2,3,4,5,6-heptachlorocyclohexane (707-55-1) + 1,2,3,4,5,6-hexachlorocyclohexane (608-73-1,119911-70-5,6108-11-8,8073-23-2)

Guidance literature:

piperidine; copper; In acetonitrile; at 100 - 110 ℃; for 1h; Further byproducts given;

Reference yield:

3e,4a,5e,6e-tetrachlorocyclohexene (319-81-3,1782-00-9,28810-35-7,28810-37-9,28810-38-0,33875-95-5,41992-55-6,56933-25-6,85687-83-8) → (+/-)-1,1,2r,3c,4t,5c,6t-heptachloro-cyclohexane (707-55-1,18376-24-4,18376-25-5,18376-26-6,39005-77-1)

Guidance literature:

With tetrachloromethane; chlorine; Irradiation_.Gluehlampenlicht;

DOI:10.1021/ja01644a022

Reference yield:

delta-lindane (319-86-8,6108-11-8,8073-23-2) → (+/-)-1,1,2r,3c,4t,5c,6t-heptachloro-cyclohexane (707-55-1,18376-24-4,18376-25-5,18376-26-6,39005-77-1)

Guidance literature:

With tetrachloromethane; chlorine; Irradiation_.UV-Licht;

upstream raw materials:

tetrachloromethane

buta-1,3-diene

chlorobenzene

chlorine

Downstream raw materials:

(-)-1,1,2r,3t,4c,5c,6t-heptachloro-cyclohexane

(+/-)-1,1,2,2,3r,4t,5c,6t-octachloro-cyclohexane

(+/-)-1,2,3r,4c,5t,6t-hexachloro-cyclohexene

(+/-)-1,1,2r,3c,4,4,5c,6t-octachloro-cyclohexane

Refernces

• 1、 Aver'yanov, V.A.. "COMPETING CHLORINATION OF 1,1-DICHLOROETHANE AND CHLOROBENZENE". . p. 2123 - 2127. Retrieved 2007/10/02.