Perchloroethane

Base Information

• Chemical Name: Perchloroethane
• CAS No.: 67-72-1
• Molecular Formula: C2Cl6
• Molecular Weight: 236.74
• Hs Code.: 2942000000
• European Community (EC) Number: 200-666-4
• ICSC Number: 0051
• NSC Number: 9224
• UN Number: 2811,9037
• UNII: G30K3QQT4J
• DSSTox Substance ID: DTXSID7020689
• Nikkaji Number: J1.413C
• Wikipedia: Hexachloroethane
• Wikidata: Q415988
• NCI Thesaurus Code: C44389
• ChEMBL ID: CHEMBL160929
• Mol file: 67-72-1.mol

Synonyms:Phenohep;Ethane,hexachloro- (8CI,9CI);1,1,1,2,2,2-Hexachloroethane;1,2-Dichloro-1,1,2,2-tetrachloroethane;Avlothane;Distokal;Distopan;Distopin;Egitol;Ethane hexachloride;Falkitol;Fasciolin;Fron 110;Hexachlorethane;Mottenhexe;NSC 9224;Perchloroethane;

Chemical Property of Perchloroethane

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.895mmHg at 25°C
• Melting Point: 184 °C
• Refractive Index: 1.533
• Boiling Point: 186.8 °C at 760 mmHg
• Flash Point: 61.3 °C
• PSA: 0.00000
• Density: 1.821 g/cm³
• LogP: 3.72680
• Water Solubility.: 0.05 g/L (22℃)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 235.810166
• Heavy Atom Count: 8
• Complexity: 61.5
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn, N, T, F
• Hazard Codes: Xn:Harmful;;
• Statements: R36/37/38:; R40:; R51/53:
• Safety Statements: S26:; S36/37/39:; S45:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed.
• Effects of Short Term Exposure: The vapour is irritating to the eyes.
• Effects of Long Term Exposure: The substance may have effects on the liver and kidneys. The substance may have effects on the central nervous system. This may result in ataxia and tremors. Tumours have been detected in experimental animals but may not be relevant to humans.

Technology Process of Perchloroethane

There total 338 articles about Perchloroethane 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: 82.0%

tetrachloromethane (56-23-5) → chloroform (67-66-3,8013-54-5) + hexachloroethane (67-72-1)

Guidance literature:

With photoreduced H₂W₁₀O₃₂^4-; In acetonitrile; at 60 ℃; for 24h; Product distribution; Mechanism; other halocarbons, other redox-active polyoxotungstate complexes; other temperature, also with irradiation; other solvents;

DOI:10.1021/ja00064a028

Reference yield: 80.0%

C23H16N2O2 (115993-91-4) → 4-chloroquinoline (611-35-8) + benzophenone (119-61-9) + hexachloroethane (67-72-1) + benzophenone azine (983-79-9)

Guidance literature:

With tetrachloromethane; Yields of byproduct given; Ambient temperature; Irradiation;

DOI:10.1016/S0040-4039(00)82327-8

Reference yield: 77.0%

C23H16N2O2 (120569-14-4) → 4-chloroisoquinoline (1532-91-8) + benzophenone (119-61-9) + hexachloroethane (67-72-1) + benzophenone azine (983-79-9)

Guidance literature:

With tetrachloromethane; Yields of byproduct given; Ambient temperature; Irradiation;

DOI:10.1016/S0040-4039(00)82327-8

upstream raw materials:

C₂₃H₁₆N₂O₂

chloroform

tetrachloromethane

7,7-dimethyl-1,4,5,6-tetraphenyl-2,3-benzo-7-germanorbornadiene

Downstream raw materials:

1,1,2,2-tetrachloroethylene

tertiary butyl chloride

4-(4,4'-dihydroxy-3,5,3',5'-tetramethoxy-benzhydrylidene)-2,6-dimethoxy-cyclohexa-2,5-dienone

n-Butyl chloride

Refernces

• 1、 Gaplovsky, Anton,Toma, Stefan,Luche, Jean-Louis,Jakubikova, Bibiana,Gaplovska, Katarina,Mracnova, Renata. "Effect of ultrasound on the photolysis of carbon tetrachloride mediated by benzothiazole derivatives. 2-Sulfanylbenzothiazoles". . p. 652 - 656. Retrieved 2002.
• 2、 Chendke, P. K.,Fogler, H. S.. "Sonoluminescence and Sonochemical Reactions of Aqueous Carbon Tetrachloride Solutions". . p. 1362 - 1369. Retrieved 1983.
• 3、 Brook,A.G. et al.. "". . p. 133 - 135. Retrieved 1971.
• 4、 Kirahonoki,K.,Takano,Y.. "". . p. 2417 - 2425. Retrieved 1969.
• 5、 Timoshenko, Vadim A.,Bogdanov, Alexey V.,Shabatina, Tatyana I.,Mysik, Alexey A.,Uimin, Mikhail A.,Ermakov, Anatoly E.,Sergeev, Gleb B.. "Reaction of carbon tetrachloride with the nanoscale particles of silver and copper in a liquid phase". . p. 322 - 323. Retrieved 2008.
• 6、 Gonikberg,Shulin. "-". . p. 617,621;engl.Ausg.S.592,595. Retrieved 1959.
• 7、 Spurny, Z.,Jonovsky, I.. "". . p. 624 - 625. Retrieved 1961.
• 8、 Tomkinson,Pritchard. "". . p. 1579. Retrieved 1966.
• 9、 Bengough,Thomson. "-". . p. 1928. Retrieved 1961.
• 10、 Itoh, Mayu,Itoh, Shinobu,Kubo, Minoru,Morimoto, Yuma,Shinke, Tomoya,Sugimoto, Hideki,Wada, Takuma,Yanagisawa, Sachiko. "Revisiting Alkane Hydroxylation with m-CPBA (m-Chloroperbenzoic Acid) Catalyzed by Nickel(II) Complexes". . p. 14730 - 14737. Retrieved 2021/09/29.