4-Bromo-3-chlorobenzotrifluoride

Base Information

• Chemical Name: 4-Bromo-3-chlorobenzotrifluoride
• CAS No.: 402-04-0
• Molecular Formula: C7H3BrClF3
• Molecular Weight: 259.453
• Hs Code.: 2903999090
• European Community (EC) Number: 674-749-2
• DSSTox Substance ID: DTXSID30558307
• Wikidata: Q72452471
• Mol file: 402-04-0.mol

Synonyms:4-Bromo-3-chlorobenzotrifluoride;402-04-0;1-Bromo-2-chloro-4-trifluoromethylbenzene;1-bromo-2-chloro-4-(trifluoromethyl)benzene;3-CHLORO-4-BROMOBENZOTRIFLUORIDE;MFCD00673985;BENZENE, 1-BROMO-2-CHLORO-4-(TRIFLUOROMETHYL)-;SCHEMBL1460004;DTXSID30558307;2-Chloro-4-trifluoromethylbromobenzene;AKOS005256164;CS-W002666;DS-0867;SY022908;2-Chloro-4-trifluoromethyl-1-bromobenzene;A6724;AM20050451;J-504391;J-650085;CYCLOHEXANECARBOXYLICACID,4-METHYL-,ETHYLESTER;1-Bromo-2-chloro-4-(trifluoromethyl)benzene, 4-Bromo-3-chloro-alpha,alpha,alpha-trifluorotoluene

Chemical Property of 4-Bromo-3-chlorobenzotrifluoride

Chemical Property:

• Vapor Pressure: 0.267mmHg at 25°C
• Melting Point: -25.0--22.8 °C
• Refractive Index: 1.491
• Boiling Point: 211.3 °C at 760 mmHg
• Flash Point: 81.6 °C
• PSA: 0.00000
• Density: 1.717 g/cm³
• LogP: 4.12130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 257.90587
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-3-chlorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)Br

Technology Process of 4-Bromo-3-chlorobenzotrifluoride

There total 1 articles about 4-Bromo-3-chlorobenzotrifluoride 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:

3-chlorotrifluoromethylbenzene (98-15-7) → 6-bromo-1-chloro-3-(trifluoromethyl)benzene (402-04-0)

Guidance literature:

With antimonypentachloride; bromine; anschliessend Behandeln mit Chlor;

DOI:10.1021/ja01160a063

Reference yield: 80.0%

6-bromo-1-chloro-3-(trifluoromethyl)benzene (402-04-0) → 6-deutero-1-chloro-3-(trifluoromethyl)benzene (1289519-64-7)

Guidance literature:

6-bromo-1-chloro-3-(trifluoromethyl)benzene; With TurboGrignard; In tetrahydrofuran; at 0 ℃; for 0.333333h; Inert atmosphere;

With water-d2; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja200906z

Reference yield: 71.0%

benzylurea (538-32-9) + 6-bromo-1-chloro-3-(trifluoromethyl)benzene (402-04-0) → 1,3-Dihydro-1-(phenylmethyl)-6-(trifluoromethyl)-2H-benzimidazol-2-one

Guidance literature:

With potassium phosphate; BrettPhos precatalyst; In tert-butyl alcohol; at 110 ℃; for 14h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol501531q

upstream raw materials:

3-chlorotrifluoromethylbenzene

Downstream raw materials:

6-deutero-1-chloro-3-(trifluoromethyl)benzene

5-(2-chloro-4-(trifluoromethyl)phenyl)furan-2-carbaldehyde

2-[5-(2-chloro-5-trifluoromethyl)-furan-2-ylmethylene]indan-1-one

(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enoic acid