4-Bromo-2,5-difluorophenol

Base Information

• Chemical Name: 4-Bromo-2,5-difluorophenol
• CAS No.: 486424-36-6
• Molecular Formula: C6H3BrF2O
• Molecular Weight: 208.99
• Hs Code.: 2908199090
• European Community (EC) Number: 640-123-2
• DSSTox Substance ID: DTXSID40426942
• Wikidata: Q72454450
• Mol file: 486424-36-6.mol

Synonyms:4-Bromo-2,5-difluorophenol;486424-36-6;1-Bromo-2,5-difluoro-4-hydroxybenzene;MFCD04973751;4-bromo-2,5-difluoro-phenol;Phenol, 4-bromo-2,5-difluoro-;SCHEMBL366414;DTXSID40426942;BYZMZJIWCQTYSR-UHFFFAOYSA-N;AKOS005254290;1-hydroxy-4-bromo-2,5-difluoro-benzene;AS-19870;SY103977;CS-0195276;FT-0600929;EN300-134746;A827578

Chemical Property of 4-Bromo-2,5-difluorophenol

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.134mmHg at 25°C
• Melting Point: 51-53 °C
• Refractive Index: 1.549
• Boiling Point: 210.2 °C at 760 mmHg
• PKA: 7.16±0.23(Predicted)
• Flash Point: 81 °C
• PSA: 20.23000
• Density: 1.858 g/cm³
• LogP: 2.43290
• Water Solubility.: Soluble in water (slightly).
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 207.93353
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2,5-difluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)Br)F)O
• Uses: 4-Bromo-2,5-difluorophenol is used as a raw material in organic synthesis. Used in the synthesis allyloxy-based biphenyl liquid crystals with multiple lateral fluoro substituents.

Technology Process of 4-Bromo-2,5-difluorophenol

There total 2 articles about 4-Bromo-2,5-difluorophenol 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: 81.05%

2,5-difluorophenol (2713-31-7) → 4-bromo-2,5-difluoro phenol (486424-36-6)

Guidance literature:

With bromine; In chloroform; at 0 - 20 ℃; for 3h;

Reference yield:

2,6-difluorophenol (28177-48-2) → 4-bromo-2,5-difluoro phenol (486424-36-6)

Guidance literature:

With bromine; iron; sodium hydrogensulfite; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dichloromethane;

Reference yield: 100.0%

4-bromo-2,5-difluoro phenol (486424-36-6) + 4-i-propylbenzyl bromide (73789-86-3) → C16H15BrF2O

Guidance literature:

With potassium carbonate; In acetonitrile; for 2h; Inert atmosphere; Reflux;

upstream raw materials:

2,5-difluorophenol

2,6-difluorophenol

Downstream raw materials:

1-(benzyloxy)-4-bromo-2,5-difluorobenzene

(4-bromo-2,5-difluoro-phenoxy)-tert-butyl-dimethyl-silane

4-Bromo-3,6-difluoro-2-nitrophenol

C₁₅H₁₂F₂O₂

Refernces

• 1、 Givens, Richard S.,Stensrud, Kenneth,Conrad, Peter G.,Yousef, Abraham L.,Perera, Chamani,Senadheera, Sanjeewa N.,Heger, Dominik,Wirz, Jakob. "P-Hydroxyphenacyl photoremovable protecting groups Robust photochemistry despite substituent diversity". scheme or table. p. 364 - 384. Retrieved 2011/06/22.
• 2、 -. "PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS". Page/Page column 166. . Retrieved 2010/11/25.