2-Bromoheptafluoropropane

Base Information

• Chemical Name: 2-Bromoheptafluoropropane
• CAS No.: 422-77-5
• Molecular Formula: C3BrF7
• Molecular Weight: 248.926
• Hs Code.: 2903799090
• European Community (EC) Number: 610-009-7
• DSSTox Substance ID: DTXSID20371289
• Nikkaji Number: J129.115G
• Wikidata: Q72456672
• ChEMBL ID: CHEMBL476635
• Mol file: 422-77-5.mol

Synonyms:2-Bromoheptafluoropropane;422-77-5;2-bromo-1,1,1,2,3,3,3-heptafluoropropane;2-bromo-1,1,1,2,3,3,3-heptafluoro-propane;heptafluoroisopropyl bromide;CHEMBL476635;SCHEMBL2219282;PERFLUORO-2-BROMOPROPANE;AMY6771;DTXSID20371289;FD2011;MFCD00041479;AKOS005063353;FT-0611563;A825834

Chemical Property of 2-Bromoheptafluoropropane

Chemical Property:

• Vapor Pressure: 19.2mmHg at 25°C
• Refractive Index: 1.325
• Boiling Point: 18.37 °C at 760 mmHg
• Flash Point: None
• PSA: 0.00000
• Density: 1.922 g/cm³
• LogP: 3.17170
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 247.90716
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

99.0% ^*data from raw suppliers

2-BROMOHEPTAFLUOROPROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 23/24/25
• Safety Statements: 36/37/39

MSDS Files:

Useful:

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

Technology Process of 2-Bromoheptafluoropropane

There total 4 articles about 2-Bromoheptafluoropropane 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:

polytetrafluoroethylene (116-14-3,82785-14-6) + Bromotrifluoromethane (75-63-8) → perfluoropropyl bromide (422-85-5) + 2-bromo-1,1,1,2,3,3,3-heptafluoropropane (422-77-5)

Guidance literature:

With aluminum chlorofluoride; In various solvent(s); at 25 - 30 ℃; for 16h; Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(99)00279-1

Reference yield:

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → 1,2-dibromohexafluoropropane (661-95-0) + 2-bromo-1,1,1,2,3,3,3-heptafluoropropane (422-77-5) + 2-bromohexafluoropropyl fluorosulfate (41255-95-2) + 2-hydrohexafluoropropyl fluorosulfate (684-35-5)

Guidance literature:

With bromine; antimony pentafluoride; fluorosulphonic acid; for 48h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1007/BF00963248

Reference yield:

1,1,1,2,3,5,5,5-Octafluoro-2,3,4,4-tetrakis-trifluoromethyl-pentane (122432-75-1) → 2-bromo-1,1,1,2,3,3,3-heptafluoropropane (422-77-5) + 2-bromo-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane (754-43-8) + 2-Bromo-1,1,1,2,3,4,4,4-octafluoro-3-trifluoromethyl-butane + 2-Bromo-1,1,1,2,4,4,4-heptafluoro-3,3-bis-trifluoromethyl-butane

Guidance literature:

With bromine; at 201 ℃; for 48h;

DOI:10.1016/0022-1139(93)02945-B

upstream raw materials:

perfluoropropylene

1,1,1,2,3,5,5,5-Octafluoro-2,3,4,4-tetrakis-trifluoromethyl-pentane

perfluoro-1-methyl-4-isopropylcyclohexane

bromine

Downstream raw materials:

2-methyl-4-(heptafluoropropan-2-yl)-aniline

4-(perfluoropropane-2-yl)-2-(trifluoromethyl)aniline

methyl (2-(chloromethyl)-4-(perfluoropropane-2-yl)phenyl)carbamate

3-methyl-4-heptafluoro-isopropylaniline

Refernces

• 1、 Tonelli, Claudio,Tortelli, Vito. "Pyrolysis of branched-chain perfluoroalkanes in the presence of halogens". . p. 125 - 128. Retrieved 2007/10/03.