1,3-Dibromo-5-(trifluoromethoxy)benzene

Base Information

• Chemical Name: 1,3-Dibromo-5-(trifluoromethoxy)benzene
• CAS No.: 207226-31-1
• Molecular Formula: C7H3Br2F3O
• Molecular Weight: 319.903
• Hs Code.: 2909309090
• European Community (EC) Number: 674-490-5
• DSSTox Substance ID: DTXSID60375605
• Wikidata: Q72465200
• Mol file: 207226-31-1.mol

Synonyms:1,3-Dibromo-5-(trifluoromethoxy)benzene;207226-31-1;3,5-dibromo-1-(trifluoromethoxy)benzene;3,5-dibromo(trifluoromethoxy)benzene;1,3-Dibromo-5-trifluoromethoxybenzene;MFCD00075280;3,5-Dibromo-alpha,alpha,alpha-trifluoroanisole;2,6-DIBROMO-4-(TRIFLUOROMETHOXY) BENZENE;SCHEMBL1510479;DTXSID60375605;3,5-Dibromo-A,A,A-trifluoroanisole;2,6-Dibromo-4-trifluoromethoxybenzene;AKOS015835385;CS-W023172;1, 3-dibromo-5-trifluoromethoxybenzene;DS-14804;SY018099;Benzene, 1,3-dibromo-5-(trifluoromethoxy)-;D3322;FT-0657712;1,3-Dibromo-5-(trifluoromethoxy)benzene, 99%;EN300-141069;A814835;J-013547

Chemical Property of 1,3-Dibromo-5-(trifluoromethoxy)benzene

Chemical Property:

• Vapor Pressure: 0.261mmHg at 25°C
• Refractive Index: n20/D 1.508(lit.)
• Boiling Point: 211.7 °C at 760 mmHg
• Flash Point: 101 °C
• PSA: 9.23000
• Density: 1.972 g/cm³
• LogP: 4.11020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 319.84822
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dibromo-5-(trifluoromethoxy)benzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Br)Br)OC(F)(F)F
• Uses: 1,3-Dibromo-5-(trifluoromethoxy)benzene may be used in chemical synthesis.

Technology Process of 1,3-Dibromo-5-(trifluoromethoxy)benzene

There total 2 articles about 1,3-Dibromo-5-(trifluoromethoxy)benzene 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: 79.0%

silver(I) trifluoromethoxide (1006904-72-8) + 3,5-dibromophenyldiazonium tetrafluoroborate → 1,3-dibromo-5-(trifluoromethoxy)benzene (207226-31-1)

Guidance literature:

In acetonitrile; at -40 ℃; for 2h; Inert atmosphere;

Reference yield:

silver(I) trifluoromethoxide (1006904-72-8) + 3,5-dibromoaniline (626-40-4) → 1,3-dibromo-5-(trifluoromethoxy)benzene (207226-31-1)

Guidance literature:

3,5-dibromoaniline; With tetrafluoroboric acid; tert.-butylnitrite; In ethanol; at 0 - 20 ℃; for 1h; Schlenk technique;

silver(I) trifluoromethoxide; In acetonitrile; at -40 - 20 ℃;

DOI:10.1021/acs.orglett.9b03000

Reference yield: 82.0%

1,3-dibromo-5-(trifluoromethoxy)benzene (207226-31-1) → potassium 3-bromo-5-(trifluoromethoxy)phenyltrifluoroborate

Guidance literature:

1,3-dibromo-5-(trifluoromethoxy)benzene; With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h; Inert atmosphere;

With potassium hydrogen difluoride; In tetrahydrofuran; hexane; at 20 ℃;

DOI:10.1021/ol901669k

upstream raw materials:

silver(I) trifluoromethoxide

3,5-dibromoaniline

Downstream raw materials:

6-(3-Bromo-5-trifluoromethoxy-phenyl)-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]-oxazin-2-one

1-(3-bromo-5-(trifluoromethoxy)phenyl)ethanone

C₂₀H₁₃BrF₃NO

1-bromo-3-(tert-butyl)-5-(trifluoromethoxy)benzene