1-Bromo-2,3,4,5-tetrafluorobenzene

Base Information

• Chemical Name: 1-Bromo-2,3,4,5-tetrafluorobenzene
• CAS No.: 1074-91-5
• Molecular Formula: C6HBrF4
• Molecular Weight: 228.972
• Hs Code.: 2903999090
• European Community (EC) Number: 214-048-7
• DSSTox Substance ID: DTXSID50148042
• Nikkaji Number: J217.193G
• Wikidata: Q72512667
• Mol file: 1074-91-5.mol

Synonyms:1-Bromo-2,3,4,5-tetrafluorobenzene;1074-91-5;2,3,4,5-Tetrafluorobromobenzene;C6HBrF4;EINECS 214-048-7;Benzene, 1-bromo-2,3,4,5-tetrafluoro-;MFCD00017900;2-Bromo-1H-tetrafluorobenzene;bromotetrafluorobenzene;tetrafluorobromobenzene;SCHEMBL1043011;DTXSID50148042;AKOS007930089;AS-33094;1-Bromo-2,3,4,5-tetrafluorobenzene, 97%;FT-0607434;1-bromanyl-2,3,4,5-tetrakis(fluoranyl)benzene;EN300-1913570;A801714

Chemical Property of 1-Bromo-2,3,4,5-tetrafluorobenzene

Chemical Property:

• Appearance/Colour: colorless transparent liquid
• Melting Point: 149-150 °C
• Refractive Index: n20/D 1.466(lit.)
• Boiling Point: 147.3 °C at 760 mmHg
• Flash Point: 54.6 °C
• PSA: 0.00000
• Density: 1.869 g/cm³
• LogP: 3.00550
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 227.91978
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-2,3,4,5-tetrafluorobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Br)F)F)F)F
• Uses: 1-Bromo-2,3,4,5-tetrafluorobenzene is a useful research chemical for organic synthesis. 1-Bromo-2,3,4,5-tetrafluorobenzene was used in the synthesis of catalyst Pd(AsPh3)4, required for preparation of cyclometalating ligands 2-(3′,4′,6′-trifluorophenyl)pyridine; n = 4: and 2-(3′,4′,5′,6′-tetrafluorophenyl)pyridine. 1-Bromo-2,3,4,5-tetrafluorobenzene may be used in the synthesis of fluorinated rubrene.

Technology Process of 1-Bromo-2,3,4,5-tetrafluorobenzene

There total 6 articles about 1-Bromo-2,3,4,5-tetrafluorobenzene 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: 42.0%

1,2-dibromo-3,4,5,6-tetrafluorobenzene (827-08-7) → 1-bromo-2,3,4,5-tetrafluorobenzene (1074-91-5)

Guidance literature:

With methanol; tripiperidino-phosphine; In dichloromethane; for 0.5h;

DOI:10.1007/BF02495214

Reference yield:

1,2-dibromo-3,4,5,6-tetrafluorobenzene (827-08-7) → 1-bromo-2,3,4,5-tetrafluorobenzene (1074-91-5) + 1,2,3,4-tetrafluorobenzene (551-62-2)

Guidance literature:

With water; hexaethylphosphoric triamide; In N,N-dimethyl-formamide; at 20 ℃; for 84h;

DOI:10.1007/BF02495214

Reference yield:

1,2,3,4-tetrafluorobenzene (551-62-2) → 1-bromo-2,3,4,5-tetrafluorobenzene (1074-91-5)

Guidance literature:

With aluminum tri-bromide; sulfuric acid; sulfur trioxide; bromine;

DOI:10.1016/S0040-4020(01)99045-3

upstream raw materials:

1,2-dibromo-3,4,5,6-tetrafluorobenzene

1,2,3,4-tetrafluorobenzene

2-bromo-3,4,5,6-tetrafluorobenzoic acid

2,3,4,5-tetrafluorobenzoic acid

Downstream raw materials:

1-bromo-2-nitrotetrafluorobenzene

1-chloro-2,3,4,5-tetrafluorobenzene

2,3,4,5-tetrafluorobenzonitrile

Refernces

• 1、 -. "Method for producing tetrakis ( fluoroaryl) borate-magnesium compound". . . Retrieved 2008/06/13.
• 2、 Bardin,Pressman. "Reaction of polyfluoroaromatic compounds with electrophilic agents in the presence of tris(dialkylamino)phosphines: 7. * Replacement of a halogen by hydrogen in halogenopolyfluoroaromatic compounds". . p. 786 - 788. Retrieved 2007/10/03.