1,1,2,2-Tetrabromoethane

Base Information

• Chemical Name: 1,1,2,2-Tetrabromoethane
• CAS No.: 79-27-6
• Molecular Formula: C2H2Br4
• Molecular Weight: 345.654
• Hs Code.: 29033036
• European Community (EC) Number: 201-191-5
• ICSC Number: 1235
• NSC Number: 406889
• UN Number: 2504
• UNII: V00GKC584O
• DSSTox Substance ID: DTXSID1026083
• Nikkaji Number: J3.838E
• Wikidata: Q161271
• ChEMBL ID: CHEMBL1438332
• Mol file: 79-27-6.mol

Synonyms:1,1,2,2-tetrabromoethane

Chemical Property of 1,1,2,2-Tetrabromoethane

Chemical Property:

• Appearance/Colour: yellowish heavy liquid
• Vapor Pressure: 0.0499mmHg at 25°C
• Melting Point: 1 °C
• Refractive Index: n20/D 1.637(lit.)
• Boiling Point: 243.5 °C at 760 mmHg
• Flash Point: 97 °C
• PSA: 0.00000
• Density: 3.004 g/cm³
• LogP: 3.21820
• Water Solubility.: 0.63 g/L (20℃)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 345.68490
• Heavy Atom Count: 6
• Complexity: 26.5
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T+,T
• Hazard Codes: T+:Very toxic
• Statements: R26:; R36:; R52/53:
• Safety Statements: S1/2:; S24:; S27:; S45:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Brominated Solvents
• Canonical SMILES: C(C(Br)Br)(Br)Br
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system and liver. This may result in impaired functions.
• Effects of Long Term Exposure: The substance may have effects on the liver.

Technology Process of 1,1,2,2-Tetrabromoethane

There total 22 articles about 1,1,2,2-Tetrabromoethane 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: 97.1%

cis+trans-dibromoethylene (540-49-8) → 1,1,2,2-tetrabromoethane (79-27-6) + C2H2BrF5S + C2H2BrF5S

Guidance literature:

With pentafluorosulfanyl bromide; at 20 ℃; for 24h; Irradiation;

DOI:10.1016/j.jfluchem.2008.06.006

Reference yield:

2-phenyl-1,3-oxathiolane (5721-88-0) → 1,1,2,2-tetrabromoethane (79-27-6) + S-(2-bromoethyl) benzothioate (81110-22-7) + 1,1-dibromomethane (74-95-3)

Guidance literature:

With Bromoform; di-tert-butyl peroxide; at 130 ℃; for 4.5h; Yields of byproduct given;

Reference yield:

2-propyl-1,3-oxathiolan (27001-65-6) → 1,1,2,2-tetrabromoethane (79-27-6) + 2-bromoethyl thiobutyrate (83124-63-4) + 1,1-dibromomethane (74-95-3)

Guidance literature:

With Bromoform; di-tert-butyl peroxide; at 130 ℃; for 4.5h; Yields of byproduct given;

upstream raw materials:

cis+trans-dibromoethylene

ethylene dibromide

acetylene

1,1,2,2-tetrachloroethane

Downstream raw materials:

1,1,2-tribromoethylene

cis+trans-dibromoethylene

hexabromoethane

1,1,1,2,2-pentabromoethane

Refernces

• 1、 Akhrem,Orlinkov,Afanas'eva,Vol'pin. "Functionalization of saturated hydrocarbons by aprotic superacids 4. Ionic bromination of ethane and other alkanes and cycloalkanes with molecular bromine in the presence of systems based on polyhalomethanes and AlBr3 under mild conditions". . p. 1148 - 1153. Retrieved 2007/10/03.
• 2、 Rol'nik, L. Z.,Pastushenko, E. V.,Zlot-skii, S. S.,Rakhmankulov, D. L.. "HOMOLYTIC HALOGENATION OF 2-ALKOXY-1,3-DIOXACYCLOALKANES". . p. 2131 - 2134. Retrieved 2007/10/02.