3-Bromo-1,1,1-trifluoropropane

Base Information

• Chemical Name: 3-Bromo-1,1,1-trifluoropropane
• CAS No.: 460-32-2
• Molecular Formula: C3H4BrF3
• Molecular Weight: 176.964
• Hs Code.: 2903799090
• European Community (EC) Number: 630-622-3
• DSSTox Substance ID: DTXSID80369364
• Nikkaji Number: J151.441E
• Wikidata: Q72513550
• Mol file: 460-32-2.mol

Synonyms:3-Bromo-1,1,1-trifluoropropane;460-32-2;1-Bromo-3,3,3-trifluoropropane;Bromotrifluoropropane;Propane, bromotrifluoro-;72101-30-5;3,3,3-trifluoropropyl bromide;3-bromo-1,1,1-trifluoro-propane;Propane, 3-bromo-1,1,1-trifluoro-;Monobromotrifluoropropane;SCHEMBL30210;3-bromo-1,1,1-trifluoropropan;3,3,3-trifluoro-1-bromopropane;DTXSID80369364;1-bromo-3,3,3-trifluoro propane;(3,3,3-trifluoro)-propyl bromide;1-bromo-3,3,3-trifluoro-n-propane;MFCD00042193;3-bromo-1, 1, 1-trifluoro-propane;AKOS005255119;3-bromanyl-1,1,1-tris(fluoranyl)propane;AS-48233;CS-0121180;FT-0607469;A826966;J-504412;B059590000

Chemical Property of 3-Bromo-1,1,1-trifluoropropane

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 175mmHg at 25°C
• Melting Point: 62-63℃
• Refractive Index: 1.362-1.364
• Boiling Point: 64.766 °C at 760 mmHg
• Flash Point: -26.001 °C
• PSA: 0.00000
• Density: 1.644 g/cm³
• LogP: 2.33370
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.94485
• Heavy Atom Count: 7
• Complexity: 48.6

Purity/Quality:

99%, ^*data from raw suppliers

3-Bromo-1,1,1-trifluoropropane 95% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)C(F)(F)F

Technology Process of 3-Bromo-1,1,1-trifluoropropane

There total 19 articles about 3-Bromo-1,1,1-trifluoropropane 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: 65.0%

1,1,1-trifluoropropylene (677-21-4) → 1,1,1-trifluoro-2-bromo-propane (421-46-5) + 3-bromo-1,1,1-trifluoropropane (460-32-2)

Guidance literature:

With hydrogen bromide; Irradiation;

DOI:10.1021/ja00220a048

Reference yield: 64.0%

3-Bromopropionic acid (590-92-1) → 3-bromo-1,1,1-trifluoropropane (460-32-2)

Guidance literature:

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

DOI:10.1021/acs.joc.9b02596

Reference yield:

3,3,3-Trifluoropropanol (2240-88-2) → 3-bromo-1,1,1-trifluoropropane (460-32-2)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; at 0 ℃; Reflux;

DOI:10.1016/j.bmc.2013.08.061

upstream raw materials:

1,1,1-trifluoropropane

1,1-difluoro-1,3-dibromopropane

1,1,1-trifluoropropylene

3-Bromopropionic acid

Downstream raw materials:

1,1,1-trifluoro-3-iodopropane

1,1,1-trifluoropropane

3-bromo-3-chloro-1,1,1-trifluoro-propane

1-bromo-1,1-dichloro-3,3,3-trifluoro-propane

Refernces

• 1、 Henne,Kaye. "-". . p. 3369. Retrieved 1950.
• 2、 Fontenelle, Clement Q.,Wang, Zhong,Fossey, Christine,Cailly, Thomas,Linclau, Bruno,Fabis, Frederic. "Design of fluorinated 5-HT4R antagonists: Influence of the basicity and lipophilicity toward the 5-HT4R binding affinities". . p. 7529 - 7538. Retrieved 2013/11/19.
• 3、 Hoffman, Robert V.,Shankweiler, Jean M.. "Structural Effects on the Transition States of Imine-Forming Eliminations in N-Substituted O-(Arylsulfonyl)hydroxylamines". . p. 4019 - 4022. Retrieved 2007/10/02.