1,1,1,3,3,3-Hexachloropropane

Base Information

• Chemical Name: 1,1,1,3,3,3-Hexachloropropane
• CAS No.: 3607-78-1
• Molecular Formula: C3H2Cl6
• Molecular Weight: 250.767
• Hs Code.: 2903199000
• European Community (EC) Number: 827-251-6
• DSSTox Substance ID: DTXSID3074600
• Nikkaji Number: J1.582.480H
• Wikipedia: 1,1,1,3,3,3-Hexachloropropane
• Wikidata: Q82002869
• Mol file: 3607-78-1.mol

Synonyms:1,1,1,3,3,3-hexachloropropane;HCC-230fa

Chemical Property of 1,1,1,3,3,3-Hexachloropropane

Chemical Property:

• Vapor Pressure: 0.261mmHg at 25°C
• Melting Point: 11.85°C (estimate)
• Refractive Index: 1.526
• Boiling Point: 211.8 °C at 760 mmHg
• Flash Point: 80.1 °C
• PSA: 0.00000
• Density: 1.712 g/cm³
• LogP: 4.11690
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 249.825816
• Heavy Atom Count: 9
• Complexity: 73.5

Purity/Quality:

99%, ^*data from raw suppliers

1,1,1,3,3,3-HEXACHLOROPROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1,3,3,3-Hexachloropropane

There total 3 articles about 1,1,1,3,3,3-Hexachloropropane 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:

tetrachlorocyclopropene (16782-92-6) + chlorine (7782-50-5) → 1,1,1,3,3,3-hexachloropropane (3607-78-1) + 1,1,1,2,2,3,3-heptachloropropane (594-89-8) + octachloropropane (594-90-1)

Guidance literature:

at 63 ℃; Irradiation;

DOI:10.1021/ja01208a026

Reference yield:

1,1,1,3,3-pentachloropropane (23153-23-3) → 1,1,1,2,3,3-hexachloropropane (5406-70-2) + 1,1,1,3,3,3-hexachloropropane (3607-78-1)

Guidance literature:

With chlorine; at 80 - 100 ℃; Irradiation_.mit UV-Licht;

DOI:10.1021/ja01149a514

Reference yield:

1,1,1,3,3-pentachloropropane (23153-23-3) + chlorine (7782-50-5) → 1,1,1,2,3,3-hexachloropropane (5406-70-2) + 1,1,1,3,3,3-hexachloropropane (3607-78-1)

Guidance literature:

at 80 - 100 ℃; mit UV-Licht_.Irradiation;

DOI:10.1021/ja01149a514

upstream raw materials:

1,1,1,3,3-pentachloropropane

chlorine

tetrachlorocyclopropene

Downstream raw materials:

1-chloro-1,1,3,3,3-pentafluoropropane

1,1-dichloro-1,3,3,3-tetrafluoropropane

2H-pentafluoropropene

1,1,1,3,3,3-hexafluoropropane