4-Bromobenzotrifluoride

Base Information

• Chemical Name: 4-Bromobenzotrifluoride
• CAS No.: 402-43-7
• Molecular Formula: C7H4BrF3
• Molecular Weight: 225.008
• Hs Code.: 29036990
• European Community (EC) Number: 206-943-6
• UNII: Q96KAT73BD
• DSSTox Substance ID: DTXSID0059950
• Nikkaji Number: J208.126A
• Wikidata: Q72451799
• Mol file: 402-43-7.mol

Synonyms:4-Bromobenzotrifluoride;402-43-7;1-Bromo-4-(trifluoromethyl)benzene;Benzene, 1-bromo-4-(trifluoromethyl)-;p-Bromobenzotrifluoride;4-Bromo-alpha,alpha,alpha-trifluorotoluene;4-bromotrifluorotoluene;p-bromotrifluoromethylbenzene;4-(trifluoromethyl)bromobenzene;EINECS 206-943-6;4-Trifluoromethylbromobenzene;4-bromo-trifluoromethylbenzene;p-(Trifluoromethyl)bromobenzene;1-Bromo-4-trifluoromethylbenzene;4-BroMo-a,a,a-trifluorotoluene-d4;Toluene, p-bromo-.alpha.,.alpha.,.alpha.-trifluoro-;1219799-09-3;MFCD00000398;P-BROMOTRIFLUOROTOLUENE;p-Bromo-alpha,alpha,alpha-trifluorotoluene;4-brombenzotrifluoride;4-bromobenzotriflouride;4-bromo-benzotrifluorid;4-bromo benzotrifluoride;4-bromo-benzotrifluoride;4-bromobenzo-trifluoride;para-Bromobenzotrifluoride;4-bromotrifluoromethylbenzen;p-trifluoromethylbromobenzene;SCHEMBL8909;4-bromotrifluoromethylbenzene;4-triflouromethylbromobenzene;Q96KAT73BD;4-trifluoromethyl-bromobenzene;4-trifluoromethylphenyl bromide;4-Bromobenzotrifluoride, 99%;4-bromo-trifluoromethyl-benzene;para-bromo-trifluoromethylbenzene;DTXSID0059950;1-bromo4-trifluoromethyl benzene;4-bromo-(trifluoromethyl)benzene;4-(trifluoromethyl)phenyl bromide;1-bromo-4-trifluoromethyl benzene;1-Bromo-4-trifluoromethyl-benzene;1-bromo-4-(trifluoromethyl)-benzene;AKOS000121169;CS-W014220;GS-3038;BP-12786;4-bromo-alpha, alpha,alpha-trifluorotoluene;AM20060398;B1252;FT-0617869;EN300-25700;4-Bromo-.alpha.,.alpha.,.alpha.-trifluorotoluene;p-Bromo-.alpha.,.alpha.,.alpha.-trifluorotoluene;W-106375;F0001-1136

Chemical Property of 4-Bromobenzotrifluoride

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 4.072mmHg at 25°C
• Refractive Index: n20/D 1.472(lit.)
• Boiling Point: 154.499 °C at 760 mmHg
• Flash Point: 48.889 °C
• PSA: 0.00000
• Density: 1.617 g/cm³
• LogP: 3.46790
• Storage Temp.: Flammables area
• Solubility.: Not miscible or difficult to mix.
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 223.94485
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

4-Bromobenzotrifluoride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)Br
• Uses: 4-Bromobenzotrifluoride is used to study the catalytic activity of palladacycle using Suzuki-Miyaura reaction. 4-Bromobenzotrifluoride was used to study the catalytic activity of palladacycle using Suzuki-Miyaura reaction.

Technology Process of 4-Bromobenzotrifluoride

There total 98 articles about 4-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: 100.0%

difluoro[4-(trifluoromethyl)phenyl]-λ3-bromane (206753-28-8) → p-trifluoromethylphenyl bromide (402-43-7)

Guidance literature:

In dichloromethane-d2; at 23 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.06.042

Reference yield: 99.0%

4-(trifluoromethyl)phenylhydrazine hydrochloride (2923-56-0) → p-trifluoromethylphenyl bromide (402-43-7)

Guidance literature:

With boron tribromide; dimethyl sulfoxide; at 80 ℃; for 1h;

DOI:10.1016/j.tetlet.2020.151959

Reference yield: 89.0%

1-bromo-4-(difluoro((trifluoromethyl)sulfonyl)methyl)benzene → p-trifluoromethylphenyl bromide (402-43-7)

Guidance literature:

With potassium fluoride; [2.2.2]cryptande; In [D₃]acetonitrile; at 100 ℃; for 2h;

DOI:10.1021/acs.orglett.1c03803

upstream raw materials:

4-trifluoromethylphenylamine

2-Bromo-5-trifluoromethylaniline

1-bromo-4-(tribromomethyl)benzene

4-Bromobenzoic acid

Downstream raw materials:

4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-benzenamine

triethyl-(4-trifluoromethyl-phenyl)-plumbane

4-(trifluoromethyl)benzenesulfinic acid

2-<4-Trifluormethyl-phenyl>-3-methyl-butan-2,3-diol

Refernces

• 1、 Gao, Xinyan,Gong, Kehao,Han, Junbin,Wang, Juan,Wang, Mingwei,Xu, Bo,Yang, Ren-Yin,Zeng, Xiaojun. "Synthesis of ArCF2X and [18F]Ar-CF3via Cleavage of the Trifluoromethylsulfonyl Group". supporting information. . Retrieved 2021/12/17.
• 2、 Phuc Tran, Dat,Nomoto, Akihiro,Mita, Soichiro,Dong, Chun-ping,Kodama, Shintaro,Mizuno, Takumi,Ogawa, Akiya. "Metal- and base-free synthesis of aryl bromides from arylhydrazines". supporting information. . Retrieved 2020/05/08.