1,1,1,7-Tetrachloroheptane

Base Information

• Chemical Name: 1,1,1,7-Tetrachloroheptane
• CAS No.: 3922-36-9
• Molecular Formula: C7H12Cl4
• Molecular Weight: 237.984
• DSSTox Substance ID: DTXSID10192480
• Nikkaji Number: J73.626K
• Wikidata: Q83065167
• Mol file: 3922-36-9.mol

Synonyms:1,1,1,7-Tetrachloroheptane;HEPTANE, 1,1,1,7-TETRACHLORO-;BRN 1742531;3922-36-9;4-01-00-00391 (Beilstein Handbook Reference);C7H12Cl4;SCHEMBL6476782;DTXSID10192480;LS-74354

Chemical Property of 1,1,1,7-Tetrachloroheptane

Chemical Property:

• Vapor Pressure: 0.00514mmHg at 25°C
• Boiling Point: 284.3°C at 760 mmHg
• Flash Point: 123.7°C
• Density: 1.254g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 237.966361
• Heavy Atom Count: 11
• Complexity: 86.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCl)CCC(Cl)(Cl)Cl

Technology Process of 1,1,1,7-Tetrachloroheptane

There total 4 articles about 1,1,1,7-Tetrachloroheptane 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:

tetrachloromethane (56-23-5) + ethene (74-85-1) + water (7732-18-5) + dibenzoyl peroxide (94-36-0) → 1,1,1,5-tetrachloropentane (2467-10-9) + 1,1,1,3-tetrachloropropane (1070-78-6) + 1,1,1,7-tetrachloroheptane (3922-36-9) + 1,1,1,9-tetrachloro-nonane (1561-48-4)

Guidance literature:

at 95 ℃; under 73550.8 Torr;

Reference yield:

tetrachloromethane (56-23-5) + ethene (74-85-1) → 1,1,1,5-tetrachloropentane (2467-10-9) + 1,1,1,3-tetrachloropropane (1070-78-6) + 1,1,1,7-tetrachloroheptane (3922-36-9) + 1,3,3,5-tetrachloropentane (24616-07-7)

Guidance literature:

With dimanganese decacarbonyl; isopropyl alcohol; at 120 ℃; for 2h; Product distribution; other reagents, reagents ratios;

DOI:10.1007/BF00949600

Reference yield:

tetrachloromethane (56-23-5) + ethene (74-85-1) → 1,1,1,5-tetrachloropentane (2467-10-9) + 1,1,1,3-tetrachloropropane (1070-78-6) + 1,1,1,7-tetrachloroheptane (3922-36-9) + 1,1,1,9-tetrachloro-nonane (1561-48-4) + 1,1,1,11-tetrachloro-undecane (3922-34-7)

Guidance literature:

With chromium⁽⁰⁾ hexacarbonyl; at 120 ℃; Product distribution; relative rate of telomerization initiated by Cr(CO)6 and further initiator; partial chain-transfer constants;

DOI:10.1007/BF00954439

upstream raw materials:

tetrachloromethane

propene

ethene

water

Downstream raw materials:

1,1,7-trichloro-1-heptene

1,1,7-trichloro-heptane

S-(7,7,7-trichloro-heptyl)-isothiourea; S-(7,7,7-trichloro-heptyl)-isothiuronium-chloride

7,7,7-trichloro-heptane-1-sulfonic acid ; sodium-salt

Refernces

• 1、 Moskalenko, M. A.,Terent'ev, A. B.,Freidlina, R. Kh.. "COMPLEX INITIATORS OF RADICAL ADDITION AND TELOMERIZATION BASED ON Mn2(CO)10". . p. 479 - 482. Retrieved 2007/10/02.