Hexachloropropene

Base Information

• Chemical Name: Hexachloropropene
• CAS No.: 1888-71-7
• Molecular Formula: C3Cl6
• Molecular Weight: 248.751
• Hs Code.: 2903299090
• European Community (EC) Number: 217-560-9
• NSC Number: 7297
• UN Number: 3382,3082
• UNII: 740VOV69VZ
• DSSTox Substance ID: DTXSID7062039
• Nikkaji Number: J35.354J
• Wikipedia: Hexachloropropene
• Wikidata: Q5748700
• Mol file: 1888-71-7.mol

Synonyms:hexachloropropene

Chemical Property of Hexachloropropene

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.292mmHg at 25°C
• Melting Point: -73°C
• Boiling Point: 209-210 °C(lit.)
• Flash Point: 209-210°C
• PSA: 0.00000
• Density: 1.765 g/mL at 25 °C(lit.)
• LogP: 4.24210
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 247.810166
• Heavy Atom Count: 9
• Complexity: 126
• Transport DOT Label: Poison Inhalation Hazard

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T:Toxic
• Statements: R23:Toxic by inhalation.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28A:After contact wit

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: C(=C(Cl)Cl)(C(Cl)(Cl)Cl)Cl

Technology Process of Hexachloropropene

There total 28 articles about Hexachloropropene 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: 56.0%

1,1,1,2,2,3,3-heptachloropropane (594-89-8) → perchloropropene (1888-71-7)

Guidance literature:

With methyl diethylphosphinate; at 180 ℃; for 14.5h;

DOI:10.1007/s11176-005-0157-6

Reference yield: 52.0%

pentachloro-2-(trimethylsiloxy)propene (87651-34-1) → chloro-trimethyl-silane (75-77-4) + pentachloroacetone (1768-31-6) + perchloropropene (1888-71-7)

Guidance literature:

With phosphorus pentachloride; at 150 ℃; for 15h; Yields of byproduct given;

Reference yield: 52.0%

trichloro(heptachloropropyl)silane (131367-96-9) → perchloropropene (1888-71-7)

Guidance literature:

With aluminium trichloride; at 160 - 180 ℃;

upstream raw materials:

chloroform

1,1,1,2,3,3,3-heptachloropropane

1,1,1,2,2,3,3-heptachloropropane

2-fluoropentachloropropylene

Downstream raw materials:

1,1,2-trichloro-3,3,3-trifluoropropene

2,3,3-trichloroacrylic acid

tetrachloromethane

1,1,2,2-tetrachloroethylene

Refernces

• 1、 -. "Method of making 1,1,3,3,3-pentafluoropropene". Page/Page column 4. . Retrieved 2008/06/13.
• 2、 -. "Method of producing 1,1,1,3,3-pentafluoropropane, a method of producing 1,1,1,3,3-pentafluoro-2-halogeno-3-chloropropane, and a method of producing 1,1,1,2,3,3-hexachloropropene". . . Retrieved 2008/06/13.