4-Fluororesorcinol

Base Information

• Chemical Name: 4-Fluororesorcinol
• CAS No.: 103068-41-3
• Molecular Formula: C6H5 F O2
• Molecular Weight: 128.103
• Hs Code.: 2908199090
• European Community (EC) Number: 634-416-4
• DSSTox Substance ID: DTXSID90441640
• Nikkaji Number: J812.313F
• Wikidata: Q72479744
• ChEMBL ID: CHEMBL2332777
• Mol file: 103068-41-3.mol

Synonyms:4-Fluororesorcinol;103068-41-3;4-fluorobenzene-1,3-diol;4-Fluoro-1,3-benzenediol;4-Fluoro-1,3-dihydroxybenzene;1,3-Benzenediol, 4-fluoro-;MFCD03789074;1-Fluoro-2,4-dihydroxybenzene;4fluororesorcinol;4-Fluororesorcinol, 97%;4-fluoroben-zene-1,3-diol;SCHEMBL701084;CHEMBL2332777;DTXSID90441640;XPOIJNIQXJYQOV-UHFFFAOYSA-N;AMY16023;BCP26770;BBL102543;STL556346;AKOS005063545;CS-W003112;HY-W003112;PD171603;SY027081;TS-01676;F0741;FT-0601456;J-000867;J-515430;4-FLUORO-1,3-DIHYDROXYBENZENE

Chemical Property of 4-Fluororesorcinol

Chemical Property:

• Appearance/Colour: Off-white crystal
• Vapor Pressure: 0.00402mmHg at 25°C
• Melting Point: 96-100 ºC
• Refractive Index: 1.526
• Boiling Point: 240.8 °C at 760 mmHg
• PKA: 8.49±0.10(Predicted)
• Flash Point: 99.4 °C
• PSA: 40.46000
• Density: 1.415 g/cm³
• LogP: 1.23690
• Storage Temp.: ?20°C
• Solubility.: DMSO, Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.02735756
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

4-Fluororesorcinol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-34-36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)O)F
• Uses: Reagent used in the preparation of fluorescent dyes and indicators. 4-Fluoro-1,3-benzenediol is used in the preparation of fluorescent dyes and indicators.

Technology Process of 4-Fluororesorcinol

There total 17 articles about 4-Fluororesorcinol 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: 95.0%

1,3-dimethoxy-4-fluorobenzene (17715-70-7) → 4-fluororesorcinol (103068-41-3)

Guidance literature:

With boron tribromide; In dichloromethane;

DOI:10.1021/jo9706178

Reference yield: 81.0%

2,6-dimethoxy-3-fluoroacetophenone (117902-11-1) → 4-fluororesorcinol (103068-41-3)

Guidance literature:

With hydrogen bromide; In acetic acid; for 4h; Heating;

Reference yield: 65.0%

4-hydroxysalicylic acid (89-86-1) → 4-fluororesorcinol (103068-41-3)

Guidance literature:

With sodium hydrogencarbonate; Selectfluor; In tetrahydrofuran; at 20 ℃;

DOI:10.1002/cjoc.201800016

upstream raw materials:

1,3-dimethoxy-4-fluorobenzene

2,6-dimethoxy-3-fluoroacetophenone

recorcinol

1,3-Dimethoxybenzene

Downstream raw materials:

2-(2,7-difluoro-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid

3-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-9,10-diphenyl-anthracene-2-carboxylic acid

dihydro-fluozin-3, trimethyl ester

C₃₆H₃₀F₂N₂O₁₁S

Refernces

• 1、 -. "8-FLUORO-4-ALKYLUMBELLIFERYL ALPHA-D-GLUCOPYRANOSIDE, BIOLOGICAL STERILIZATION INDICATOR INCLUDING THE SAME AND ITS USE IN A METHOD OF DETERMINING EFFICACY OF A STERILIZATION PROCESS". Page/Page column 53; 54. . Retrieved 2021/04/02.
• 2、 Borodkin, Gennady I.,Elanov, Innokenty R.,Shubin, Vyacheslav G.. "Promotional effect of ionic liquids in the electrophilic fluorination of phenols". . p. 60 - 71. Retrieved 2018/02/07.