2-Bromobenzotrifluoride

Base Information

• Chemical Name: 2-Bromobenzotrifluoride
• CAS No.: 392-83-6
• Molecular Formula: C7H4BrF3
• Molecular Weight: 225.008
• Hs Code.: 29039990
• European Community (EC) Number: 206-879-9
• DSSTox Substance ID: DTXSID7059939
• Nikkaji Number: J48.884D
• Wikidata: Q72451792
• Mol file: 392-83-6.mol

Synonyms:2-Bromobenzotrifluoride;392-83-6;1-Bromo-2-(trifluoromethyl)benzene;o-Bromobenzotrifluoride;Benzene, 1-bromo-2-(trifluoromethyl)-;2-Bromo-alpha,alpha,alpha-trifluorotoluene;2-Brombenzotrifluorid;o-Bromobenzyltrifluoride;o-(Trifluoromethyl)bromobenzene;2-Brombenzotrifluorid [Czech];BRN 1945750;1-bromo-2-trifluoromethyl-benzene;EINECS 206-879-9;2-Bromotrifluoromethylbenzene;Toluene, alpha,alpha,alpha-trifluoro-2-bromo-;TOLUENE, o-BROMO-alpha,alpha,alpha-TRIFLUORO-;Toluene, o-bromo-.alpha.,.alpha.,.alpha.-trifluoro-;MFCD00000373;2-(TRIFLUOROMETHYL)BROMOBENZENE;bromobenzotrifluoride;2-bromo benzotrifluoride;4-BROMO-3-(TRIFLUOROMETHYL)BENZENE;trifluoromethylbromobenzene;o-bromotrifluoromethylbenzene;o-trifluoromethylbromobenzene;2-trifluoromethylbromobenzene;o-trifluoromethyl-bromobenzene;2-trifluoromethyl-bromobenzene;SCHEMBL363301;2-Bromobenzotrifluoride, 99%;o-Bromo(trifluoromethyl)benzene;o-bromo-a,a,a-trifluorotoluene;DTXSID7059939;1-bromo-2-trifluoromethylbenzene;2-Bromo-(trifluoromethyl)benzene;2-bromo-1-trifluoromethylbenzene;bromo-2-(trifluoromethyl)benzene;2-(trifluoromethyl)phenyl bromide;1-bromo-2-trifluoromethyl benzene;1-Bromo-2-(trifluoromethyl)benzene #;AKOS015853138;AM61945;RP10155;AC-14089;AS-11984;LS-154028;2-bromo-I+/-,I+/-,I+/--trifluorotoluene;A5893;A6580;B0663;CS-0016026;FT-0611387;FT-0655198;EN300-65432;o-Bromo-.alpha.,.alpha.,.alpha.-trifluorotoluene;W-106448;Toluene, .alpha.,.alpha.,.alpha.-trifluoro-2-bromo-

Chemical Property of 2-Bromobenzotrifluoride

Chemical Property:

• Appearance/Colour: clear colorless to brown liquid
• Vapor Pressure: 2.24mmHg at 25°C
• Melting Point: 149.3-149.6 °C(Solv: ethyl acetate (141-78-6))
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 167.5 °C at 760 mmHg
• Flash Point: 51.7 °C
• PSA: 0.00000
• Density: 1.617 g/cm³
• LogP: 3.46790
• Storage Temp.: Flammables area
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 223.94485
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

2-Bromobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F
• Hazard Codes: Xi,F
• Statements: 10-36/38-36/37/38
• Safety Statements: 16-26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(F)(F)F)Br

Technology Process of 2-Bromobenzotrifluoride

There total 26 articles about 2-Bromobenzotrifluoride 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: 98.7%

α,α,α-trifluorotoluene (98-08-8) → o-trifluoromethylphenyl bromide (392-83-6)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sulfuric acid; potassium bromide; copper(I) bromide; at 20 ℃; for 8h; Reagent/catalyst;

Reference yield: 93.0%

1-Bromo-2-iodobenzene (583-55-1) + trifluoromethylcopper(I) (77152-08-0) → o-trifluoromethylphenyl bromide (392-83-6)

Guidance literature:

With 1,10-Phenanthroline; triethylamine hydrochloride; In N,N-dimethyl-formamide; at 50 ℃; for 12h; Inert atmosphere;

DOI:10.1002/chem.201303828

Reference yield: 89.0%

2-(trifluoromethyl)benzenamine (88-17-5) → o-trifluoromethylphenyl bromide (392-83-6)

Guidance literature:

2-(trifluoromethyl)benzenamine; With hydrogen bromide; sodium nitrite; In water; at 0 - 5 ℃; for 0.333333h;

With hydrogen bromide; copper(I) bromide; In water; at 20 ℃; for 0.333333h;

upstream raw materials:

α,α,α-trifluorotoluene

4-bromo-3-(trifluoromethyl)aniline

2-(trifluoromethyl)benzenamine

tetrachloromethane

Downstream raw materials:

2-trifluoromethylbenzoic acid

2-bromo-5-nitro-benzotrifluoride

3-(2-(Trifluoromethyl)phenyl)-1,2-benzisothiazole 1,1-Dioxide

N-Pyridin-3-yl-N-(2-trifluoromethyl-phenyl)-acetamide

Refernces

• 1、 Demonti, Luca,Mézailles, Nicolas,Nebra, Noel,Saffon-Merceron, Nathalie. "Cross-Coupling through Ag(I)/Ag(III) Redox Manifold". . p. 15396 - 15405. Retrieved 2021/10/12.
• 2、 Zou, Long,Li, Pinhua,Wang, Bin,Wang, Lei. "Visible-light-induced Pd-catalyzed: Ortho -trifluoromethylation of acetanilides with CF3SO2Na under ambient conditions in the absence of an external photocatalyst". supporting information. p. 3737 - 3740. Retrieved 2019/04/01.