2,5-Difluorophenol

Base Information

• Chemical Name: 2,5-Difluorophenol
• CAS No.: 2713-31-7
• Molecular Formula: C6H4F2O
• Molecular Weight: 130.094
• Hs Code.: 29329970
• NSC Number: 10288
• UNII: 53EYY8S7LA
• DSSTox Substance ID: DTXSID90181594
• Nikkaji Number: J256.505F
• Wikidata: Q72463647
• ChEMBL ID: CHEMBL261219
• Mol file: 2713-31-7.mol

Synonyms:2,5-Difluorophenol;2713-31-7;Phenol, 2,5-difluoro-;Phenol,2,5-difluoro-;MFCD00042501;53EYY8S7LA;2,5-difluorphenol;NSC-10288;1,4-Difluoro-2-hydroxybenzene;2,5-difluoro-phenol;NSC10288;2,5-difluoro phenol;phenol derivative, 5;2,5-Bis(fluoranyl)phenol;D01BUB;UNII-53EYY8S7LA;SCHEMBL70273;2,5-Difluorophenol, 95%;CHEMBL261219;BDBM26191;INXKVYFOWNAVMU-UHFFFAOYSA-;DTXSID90181594;CS-D1368;NSC 10288;AKOS005257731;AC-3785;AM61876;CCG-325853;PS-9150;BP-20573;SY007690;A5294;D2036;FT-0610363;(S)-N-(tert-Butoxycarbonyl)-?-phenylalaninol;EN300-69698;J-507342;Z401432098

Chemical Property of 2,5-Difluorophenol

Chemical Property:

• Appearance/Colour: white crystalline mass
• Vapor Pressure: 2.16mmHg at 25°C
• Melting Point: 40-42 °C(lit.)
• Refractive Index: 1.495
• Boiling Point: 157.1 °C at 760 mmHg
• PKA: 7.71±0.10(Predicted)
• Flash Point: 53.3 °C
• PSA: 20.23000
• Density: 1.351 g/cm³
• LogP: 1.67040
• Storage Temp.: Flammables area
• Water Solubility.: slightly soluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 130.02302107
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99.0%Min ^*data from raw suppliers

2,5-Difluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi, C, F
• Hazard Codes: Xn,Xi,C,F
• Statements: 10-20/21/22-36/37/38-34-11
• Safety Statements: 16-26-36/37-45-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)O)F
• Uses: 2,5-Difluorophenol has been used in the synthesis of di- or trifluorinated hydroxybenzoic acids.

Technology Process of 2,5-Difluorophenol

There total 8 articles about 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: 94.1%

2,4,5-trifluorobenzoic acid (446-17-3) → 2,5-difluorophenol (2713-31-7)

Guidance literature:

With water; sodium hydroxide; at 80 - 155 ℃; for 35h; Sealed tube;

Reference yield: 94.0%

para-difluorobenzene (540-36-3) → 2,4-difluorophenol (367-27-1) + 2,5-difluorophenol (2713-31-7)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 60 ℃; for 0.416667h;

DOI:10.1021/ja505437h

Reference yield: 70.0%

3-fluorophenol (372-20-3) → 2,5-difluorophenol (2713-31-7)

Guidance literature:

With acetic acid; Selectfluor; eosin y; In water; at 20 ℃; for 6h; Irradiation; Green chemistry;

upstream raw materials:

2,5-difluoroaniline

para-difluorobenzene

Trimethyl borate

3-fluorophenol

Downstream raw materials:

1-(benzyloxy)-2,5-difluorobenzene

2-allyloxy-1,4-difluoro-benzene

2,5-difluoro-3-methoxybenzaldehyde

2,5-difluoro-3-methoxybenzyl alcohol

Refernces

• 1、 -. "Phenol compound ortho-position direct fluorination method". Paragraph 0040-0042. . Retrieved 2020/04/17.
• 2、 Coe, Paul L.,Stuart, Alison M.,Moody, David J.. "Trifluoromethanesulfonic acid: A novel solvent for the electrophilic fluorination of fluoroaromatics". . p. 1807 - 1811. Retrieved 2007/10/03.