2-Bromo-1,1,1-trifluoroethane

Base Information

• Chemical Name: 2-Bromo-1,1,1-trifluoroethane
• CAS No.: 421-06-7
• Deprecated CAS: 38097-48-2,129702-15-4
• Molecular Formula: C2H2BrF3
• Molecular Weight: 162.937
• Hs Code.: 2903799090
• European Community (EC) Number: 207-001-7
• UNII: 8L33M92UWM
• DSSTox Substance ID: DTXSID2074324
• Nikkaji Number: J150.049J
• Wikidata: Q27270694
• Mol file: 421-06-7.mol

Synonyms:2-Bromo-1,1,1-trifluoroethane;421-06-7;2,2,2-Trifluoroethyl bromide;Trifluorobromoethane;Bromotrifluoroethane;1-bromo-2,2,2-trifluoroethane;Ethane, 2-bromo-1,1,1-trifluoro-;BRN 1697493;1,1,1-trifluoro-2-bromoethane;Ethane, bromotrifluoro-;EINECS 207-001-7;UNII-8L33M92UWM;8L33M92UWM;2-Bromo-1,1,1-trifluoro Ethane;4-01-00-00154 (Beilstein Handbook Reference);C2-H2-Br-F3;HBFC-133B1;30283-91-1;Monobromotrifluoroethane;C2H2BrF3;SCHEMBL30594;HBFC 133AB1;DTXSID2074324;1,1,1-Trifluoro-2-bromo-ethane;1-bromo-2, 2,2-trifluoroethane;2-bromo-1,1,1-trifluoro-ethane;MFCD00000442;R-133AB-1;AKOS015904199;BS-12668;LS-65229;.beta. .beta. .beta.-Trifluoroethyl bromide;FT-0611356;FT-0623267;Q27270694

Chemical Property of 2-Bromo-1,1,1-trifluoroethane

Chemical Property:

• Vapor Pressure: 772mmHg at 25°C
• Melting Point: -94 °C
• Refractive Index: 1.333
• Boiling Point: 24.6 °C at 760 mmHg
• Flash Point: -59℃
• PSA: 0.00000
• Density: 1.788 g/cm³
• LogP: 1.94360
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.92920
• Heavy Atom Count: 6
• Complexity: 38.5

Purity/Quality:

98%min ^*data from raw suppliers

2-bromo-1,1,1-trifluoroethane 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N
• Statements: 21/22-36/38-59-36/37/38
• Safety Statements: 26-36/37/39-59

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(F)(F)F)Br

Technology Process of 2-Bromo-1,1,1-trifluoroethane

There total 20 articles about 2-Bromo-1,1,1-trifluoroethane 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: 40.0%

bromoacetic acid (79-08-3) → 2-bromo-1,1,1-trifluoroethane (421-06-7)

Guidance literature:

With sulfur tetrafluoride; water; for 24h; Autoclave;

DOI:10.1021/acs.joc.9b02596

Reference yield: 36.0%

1,1,1-trifluoro-2-chloroethane (75-88-7) → 2-bromo-1,1,1-trifluoroethane (421-06-7)

Guidance literature:

With potassium iodide; at 250 - 280 ℃;

Reference yield:

3-bromo-3-(trifluoromethyl)diazirine (117113-33-4) → 2-bromo-1,1,1-trifluoroethane (421-06-7) + 1-bromo-1,2,2-trifluoroethene (598-73-2,55157-25-0)

Guidance literature:

Irradiation;

DOI:10.1021/jo00056a041

upstream raw materials:

1,2-dibromo-2,2-dichloroethane

2,2,2-trifluoroethanol

2-bromo-1,1-difluoroethene

2-bromo-1,1-dichloroethylene

Downstream raw materials:

1-bromo-1,1-dichloro-2,2,2-trifluoro-ethane

trifluoroethylamine

1,1,1-trifluoro-2-bromo-2-chloroethane

(Z)-[3,5-di-tert-butyl-2-(2,2,2-trifluoroethoxy)phenyl]but-2-en-1-ol

Refernces

• 1、 Bugera, Maksym,Trofymchuk, Serhii,Tarasenko, Karen,Zaporozhets, Olga,Pustovit, Yurii,Mykhailiuk, Pavel K.. "Deoxofluorination of Aliphatic Carboxylic Acids: A Route to Trifluoromethyl-Substituted Derivatives". . p. 16105 - 16115. Retrieved 2019/12/24.
• 2、 Hu, Chang-Ming,Tu, Ming-Hu. "Catalytic hydrogen-transfer reduction of polyhalofluoroalkanes using sodium hypophosphite". . p. 101 - 104. Retrieved 2007/10/02.