1,1,1-Trichloropropane

Base Information

• Chemical Name: 1,1,1-Trichloropropane
• CAS No.: 7789-89-1
• Molecular Formula: C3H5Cl3
• Molecular Weight: 147.432
• European Community (EC) Number: 247-216-3
• UNII: L2DQH157P9
• DSSTox Substance ID: DTXSID6073992
• Nikkaji Number: J35.471F
• Wikidata: Q26840886
• Mol file: 7789-89-1.mol

Synonyms:Trichloropropane;1,1,1-TRICHLOROPROPANE;Propane, 1,1,1-trichloro-;7789-89-1;25735-29-9;Propane, trichloro-;BRN 1731972;UNII-L2DQH157P9;L2DQH157P9;EINECS 247-216-3;AI3-08446;4-01-00-00198 (Beilstein Handbook Reference);ethyl chloroform;1,1,1-trichloro-propane;SCHEMBL22731;DTXSID6073992;MFCD01697592;AKOS006279852;LS-121091;Q26840886

Chemical Property of 1,1,1-Trichloropropane

Chemical Property:

• Melting Point: -36.84°C (estimate)
• Refractive Index: 1.4462
• Boiling Point: 116.85°C
• PSA: 0.00000
• Density: 1.2835
• LogP: 2.76660
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.945683
• Heavy Atom Count: 6
• Complexity: 35.8

Purity/Quality:

99%, ^*data from raw suppliers

1,1,1-Trichloropropane 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(Cl)(Cl)Cl

Technology Process of 1,1,1-Trichloropropane

There total 28 articles about 1,1,1-Trichloropropane 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: 83.8%

ethyl bis(N-butyl-N-isobutenylamido)phosphite (82245-54-3) → 1,1,1-trichloropropane (7789-89-1) + bis(N-butyl-N-isobutenylamido)chlorophosphate

Guidance literature:

With tetrachloromethane; at 20 ℃; for 3h;

DOI:10.1007/BF00954107

Reference yield: 55.0%

3,3,3-trichloro-1-propene (2233-00-3) → 1,1,1-trichloropropane (7789-89-1) + 1,1-dichloropropene (563-58-6) + 3,3,3-trichloropropyltriethylsilane (17873-97-1) + hexa-Si-ethyl-Si,Si'-propanediyl-bis-silane (17955-48-5)

Guidance literature:

With triethylsilane; dihydrogen hexachloroplatinate; isopropyl alcohol; at 20 ℃; for 48h; Further byproducts given;

DOI:10.1007/BF00956356

Reference yield: 55.0%

triethylsilane (617-86-7) + 3,3,3-trichloro-1-propene (2233-00-3) → 1,1,1-trichloropropane (7789-89-1) + 1,1-dichloropropene (563-58-6) + 3,3,3-trichloropropyltriethylsilane (17873-97-1) + hexa-Si-ethyl-Si,Si'-propanediyl-bis-silane (17955-48-5)

Guidance literature:

With dihydrogen hexachloroplatinate; isopropyl alcohol; at 20 ℃; for 48h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1007/BF00956356

upstream raw materials:

propyl sulfide

propane

ethene

chloroform

Downstream raw materials:

1,1-dichloropropene

1,1,1,2-tetrachloropropane

1,1,1,2,2-pentachloropropane

1,1,1,2,3-pentachloro-propane

Refernces

• 1、 Sadykov,Dzhemilev. "CINDP study of the Ni(acac)2-catalyzed reaction of triethylaluminum with chloroform". . p. 995 - 997. Retrieved 2007/10/03.
• 2、 Galkina, M. A.,Chukovskaya, E. Ts.,Freidlina, R. Kh.. "HYDROSILATION OF α,α,α-TRICHLOROALKENES IN THE PRESENCE OF H2PtCl6-6H2O". . p. 1010 - 1012. Retrieved 2007/10/02.