1,1,1,5-Tetrachloropentane

Base Information

• Chemical Name: 1,1,1,5-Tetrachloropentane
• CAS No.: 2467-10-9
• Molecular Formula: C5H8 Cl4
• Molecular Weight: 209.931
• NSC Number: 6702
• DSSTox Substance ID: DTXSID0073295
• Nikkaji Number: J34.525C
• Wikidata: Q81896504
• Mol file: 2467-10-9.mol

Synonyms:1,1,1,5-Tetrachloropentane;2467-10-9;PENTANE, 1,1,1,5-TETRACHLORO-;NSC 6702;BRN 1698833;AI3-22570;NSC6702;1,1,5-Tetrachloropentane;Pentane,1,1,5-tetrachloro-;1,1,1,5-tetrachloro-pentane;SCHEMBL6371024;DTXSID0073295;NSC-6702;LS-101768;4-01-00-00311 (Beilstein Handbook Reference)

Chemical Property of 1,1,1,5-Tetrachloropentane

Chemical Property:

• Vapor Pressure: 0.0817mmHg at 25°C
• Melting Point: 97°C (estimate)
• Refractive Index: 1.4859
• Boiling Point: 234.2°C at 760 mmHg
• Flash Point: 95.5°C
• PSA: 0.00000
• Density: 1.34g/cm³
• LogP: 3.76570
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 209.935061
• Heavy Atom Count: 9
• Complexity: 65.8

Purity/Quality:

99% ^*data from raw suppliers

1,1,1,5-TETRACHLOROPENTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCCl)CC(Cl)(Cl)Cl

Technology Process of 1,1,1,5-Tetrachloropentane

There total 9 articles about 1,1,1,5-Tetrachloropentane 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) → 1,1,1,5-tetrachloropentane (2467-10-9) + 1,1,5-trichloro-pent-1-ene (2677-33-0) + 1,1,1,3-tetrachloropropane (1070-78-6) + 1,1,1,3-tetrachlorobutane (13275-19-9)

Guidance literature:

With diethyl amine hydrochloride; 2-hydroxy-2-phenylacetophenone; iron(III) chloride; In isopropyl alcohol; Further byproducts given;

DOI:10.1021/jo00981a028

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) + 1,1,1,3-tetrachlorobutane (13275-19-9) + 1,3,3,5-tetrachloropentane (24616-07-7)

Guidance literature:

With 2-hydroxy-2-phenylacetophenone; diethylamine; iron(III) chloride; In isopropyl alcohol; Further byproducts given;

DOI:10.1021/jo00981a028

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;

upstream raw materials:

tetrachloromethane

ethene

propene

water

Downstream raw materials:

5,5,5-trichloropentyl phenyl ether

5-Chlor-1,1,1-trifluor-pentan

5-chloro-valeric acid

S-(5,5,5-trichloro-pentyl)-isothiourea; S-(5,5,5-trichloro-pentyl)-isothiuronium-chloride

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