2-Bromo-5-fluorophenol

Base Information

• Chemical Name: 2-Bromo-5-fluorophenol
• CAS No.: 147460-41-1
• Molecular Formula: C6H4BrFO
• Molecular Weight: 191
• Hs Code.: 29071990
• DSSTox Substance ID: DTXSID50369179
• Nikkaji Number: J1.905.137D
• Wikidata: Q72456341
• Mol file: 147460-41-1.mol

Synonyms:2-Bromo-5-fluorophenol;147460-41-1;Phenol, 2-bromo-5-fluoro-;147460-94-4;MFCD00040939;2-Propenoic acid, 3-[(3-phenyl-2-propenyl)oxy]-, methyl ester, (E,E)-;2-bromo-5-fluorphenol;2-bromo-5-fluoro-phenol;SCHEMBL91238;2-Bromo-5-fluorophenol, 97%;DTXSID50369179;AKOS005257831;AM61346;CS-W004135;PS-8369;AC-25966;B2040;FT-0611486;FT-0645225;EN300-112643;F14857;J-508370;Z1203161754

Chemical Property of 2-Bromo-5-fluorophenol

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.0222mmHg at 25°C
• Melting Point: 185 °C
• Refractive Index: n20/D 1.553(lit.)
• Boiling Point: 194.6 °C at 760 mmHg
• PKA: 7.43±0.10(Predicted)
• Flash Point: 71.5 °C
• PSA: 20.23000
• Density: 1.717 g/mL at 25 °C(lit.)
• LogP: 2.29380
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 189.94296
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-5-fluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)O)Br
• Uses: 2-Bromo-5-fluorophenol may be used for the preparation of reaction intermediates required for the synthesis of polycyclic 5-HT3 and 5-HT4 antagonists. It may be used for the the nucleophilic substitution of the 2,2′,4,4′-tetrabromodiphenyl iodonium chloride (iodyl salt).

Technology Process of 2-Bromo-5-fluorophenol

There total 2 articles about 2-Bromo-5-fluorophenol 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:

1-bromo-4-fluoro-2-methoxybenzene (450-88-4) → 2-bromo-5-fluorophenol (147460-41-1)

Guidance literature:

With boron tribromide; In dichloromethane; at -20 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.04.013

Reference yield:

2,4-difluorobromobenzene (348-57-2) → 4-bromo-3-fluorophenol (121219-03-2) + 2-bromo-5-fluorophenol (147460-41-1)

Guidance literature:

2,4-difluorobromobenzene; With potassium trimethylsilonate; In diethylene glycol dimethyl ether; at 120 ℃; for 5h; Inert atmosphere;

With hydrogenchloride; In diethylene glycol dimethyl ether; water; at 20 ℃; Inert atmosphere;

DOI:10.1055/s-0028-1087564

Reference yield: 100.0%

dimethyl sulfate (77-78-1) + 2-bromo-5-fluorophenol (147460-41-1) → 1-bromo-4-fluoro-2-methoxybenzene (450-88-4)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 2h;

upstream raw materials:

2,4-difluorobromobenzene

1-bromo-4-fluoro-2-methoxybenzene

Downstream raw materials:

1-bromo-4-fluoro-2-(methoxymethoxy)benzene

4-fluoro-7-bromo-benzo(b)furan

1-bromo-4-fluoro-2-isopropoxybenzene

2,5-dibromo-5-fluorophenol