Pentabromoethane

Base Information

• Chemical Name: Pentabromoethane
• CAS No.: 75-95-6
• Molecular Formula: C2HBr5
• Molecular Weight: 424.55
• European Community (EC) Number: 200-918-3
• UNII: ZWF205EY92
• DSSTox Substance ID: DTXSID8025830
• Nikkaji Number: J2.398A
• Wikidata: Q6071431
• ChEMBL ID: CHEMBL3183363
• Mol file: 75-95-6.mol

Synonyms:PENTABROMOETHANE;75-95-6;1,1,1,2,2-Pentabromoethane;Ethane, pentabromo-;BRN 1737429;EINECS 200-918-3;UNII-ZWF205EY92;ZWF205EY92;DTXSID8025830;3-01-00-00193 (Beilstein Handbook Reference);C2HBr5;Pentabromathan;pentabromethan-;Ethylene Pentabromide;C2-H-Br5;SCHEMBL396877;DTXCID005830;CHEMBL3183363;1,1,1,2,2-Pentabromoethane #;Tox21_200571;MFCD00039165;AKOS025295722;LS-1680;CAS-75-95-6;NCGC00248711-01;NCGC00258125-01;ETHANE, 1,1,1,2,2-PENTABROMO-;FT-0631318;P0674;D91997;HALOGENATED ETHANES CS (PENTABROMOETHANE);Q6071431;PENTABROMOETHANE (SEE ALSO HALOGENATED ETHANES CS (PENTABROMOETHANE))

Chemical Property of Pentabromoethane

Chemical Property:

• Vapor Pressure: 0.00748mmHg at 25°C
• Melting Point: 55 °C
• Refractive Index: 1.708
• Boiling Point: 277.8 °C at 760 mmHg
• Flash Point: 120.3 °C
• PSA: 0.00000
• Density: 3.319 g/cm³
• LogP: 3.94080
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 423.59541
• Heavy Atom Count: 7
• Complexity: 51.6

Purity/Quality:

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

Pentabromoethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(Br)(Br)Br)(Br)Br

Technology Process of Pentabromoethane

There total 16 articles about Pentabromoethane 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: 88.0%

1,1,2-tribromoethylene (598-16-3) → dibromoacetic acid (631-64-1) + 1,1,2,2-tetrabromoethene (79-28-7) + 1,1,1,2,2-pentabromoethane (75-95-6)

Guidance literature:

1,1,2-tribromoethylene; With oxygen; at 70 ℃; for 250h;

With water; at 20 ℃; for 12h; Further stages.;

DOI:10.1134/S1070427206110218

Reference yield: 4.5%

1,1,2-tribromoethylene (598-16-3) → 1,1,1,2,2-pentabromoethane (75-95-6) + 1,1-dibromo-2-nitroethylene (93243-20-0)

Guidance literature:

With nitric acid; at 50 - 55 ℃; for 3h;

Reference yield:

mucobromic acid (21577-50-4) + water (7732-18-5) + bromine (7726-95-6) → hexabromoethane (594-73-0) + dibromomaleic acid (608-37-7) + 1,1,1,2,2-pentabromoethane (75-95-6)

Guidance literature:

at 120 - 130 ℃;

upstream raw materials:

1,1,2,2-tetrabromoethane

carbon tetrabromide

bromoethyne

1,1,2-tribromoethylene

Downstream raw materials:

1,1,2,2-tetrabromoethene

diethylphosphinic acid

7,7',8,8'-tetracyanoquinodimethane

Refernces

• 1、 Kaberdin, R. V.,Nikolaeva, E. E.,Potkin, V. I.,Ol'dekop, Yu. A.. "SYNTHESIS OF 1,1-DIBROMO-2-NITROETHYLENE". . p. 1918 - 1919. Retrieved 2007/10/02.