1,1,1,3-Tetrachloropropane

Base Information

• Chemical Name: 1,1,1,3-Tetrachloropropane
• CAS No.: 1070-78-6
• Molecular Formula: C3H4Cl4
• Molecular Weight: 181.877
• Hs Code.: 2903199000
• European Community (EC) Number: 213-981-7
• UNII: DM99MQP76V
• DSSTox Substance ID: DTXSID8051546
• Nikkaji Number: J35.469D
• Wikidata: Q72504788
• Mol file: 1070-78-6.mol

Synonyms:1,1,1,3-TCP;1,1,1,3-tetrachloropropane

Chemical Property of 1,1,1,3-Tetrachloropropane

Chemical Property:

• Appearance/Colour: Colorless
• Vapor Pressure: 2.99mmHg at 25°C
• Melting Point: -35 °C
• Refractive Index: 1.482
• Boiling Point: 161.259 °C at 760 mmHg
• Flash Point: 51.41 °C
• PSA: 0.00000
• Density: 1.471 g/cm³
• LogP: 2.98550
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 181.903761
• Heavy Atom Count: 7
• Complexity: 45.4

Purity/Quality:

99% ^*data from raw suppliers

1,1,1,3-Tetrachloropropane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)C(Cl)(Cl)Cl

Technology Process of 1,1,1,3-Tetrachloropropane

There total 23 articles about 1,1,1,3-Tetrachloropropane 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: 98.1%

tetrachloromethane (56-23-5) + ethene (74-85-1) → 1,1,1,3-tetrachloropropane (1070-78-6)

Guidance literature:

With iron; trimethyl orthoformate; at 100 ℃; for 1h; under 1500.15 Torr;

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

upstream raw materials:

tetrachloromethane

ethene

Trichloromethanesulfonyl chloride

1,1,1-trichloropropane

Downstream raw materials:

1-Fluor-1,1,3-trichlor-propan

isopropyl β-chloropropionate

1,3,3,4,4,6-Hexachlor-hexan

3-chloro-1,1,1-trifluoropropane

Refernces

• 1、 Upton,C.J.,Incremona,J.H.. "-". . p. 523 - 530. Retrieved 1976.
• 2、 Incremona,Upton. "". . p. 301. Retrieved 1972.
• 3、 Lavrent'eva, E. A.,Ponomarev, V. I.,Lavrent'ev, I. P.. "METALLOCOMPLEX CATALYST OF THE ADDITION REACTION OF CCl4 TO ETHYLENE". . p. 2534 - 2537. Retrieved 1990.
• 4、 -. "PREPARATION OF 2,3,3,3-TETRAFLUOROPROPENE AND INTERMEDIATES THEREOF". Page/Page column 11-12. . Retrieved 2020/05/15.
• 5、 -. "PREPARATION OF 2,3,3,3-TETRAFLUOROPROPENE, INTERMEDIATE AND COMPOSITION THEREOF". Page/Page column 10. . Retrieved 2019/12/04.