3-CHLORO-5-FLUOROPHENOL

Base Information

• Chemical Name: 3-CHLORO-5-FLUOROPHENOL
• CAS No.: 202982-70-5
• Molecular Formula: C6H4ClFO
• Molecular Weight: 146.549
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID10378661
• Wikidata: Q72451061
• Mol file: 202982-70-5.mol

Synonyms:3-CHLORO-5-FLUOROPHENOL;Phenol, 3-chloro-5-fluoro- (9CI);3-Chloro-5-fluorophenol 98%;3-Chloro-5-fluorophenol98%

Chemical Property of 3-CHLORO-5-FLUOROPHENOL

Chemical Property:

• Vapor Pressure: 0.17mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 205.977 °C at 760 mmHg
• PKA: 8.01±0.10(Predicted)
• Flash Point: 78.372 °C
• PSA: 20.23000
• Density: 1.409 g/cm³
• LogP: 2.18470
• Storage Temp.: Room temperature.
• Water Solubility.: Immiscible with water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.9934706
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

98% ^*data from raw suppliers

3-Chloro-5-fluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)Cl)O
• Uses: 3-Chloro-5-fluorophenol is used as an intermediate in organic synthesis. It plays an important role in the preparation of substituted amides as antagonists and/or inverse agonists of cannabinoid-1 receptor, substituted N-(arylmethyl)aryloxy arylcarboxamide and heteroarylcarboxamide antagonists for the PGE2 receptor EP4 for the treatment of pain, inflammation, osteoarthritis, and rheumatoid arthritis.

Technology Process of 3-CHLORO-5-FLUOROPHENOL

There total 1 articles about 3-CHLORO-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: 88.0%

1-chloro-3-fluoro-5-methoxybenzene (202925-08-4) → 3-chloro-5-fluoro-phenol (202982-70-5)

Guidance literature:

3-fluoro-5-methoxy-1-chlorobenzene; With boron tribromide; In dichloromethane; at -70 - 20 ℃; for 0.25h;

With water; sodium hydrogencarbonate; In dichloromethane; at 20 ℃; pH=~ 6;

Reference yield: 99.4%

3-chloro-5-fluoro-phenol (202982-70-5) + 3,5-dibromo-1-(oxolan-3-yl)-1,2,4-triazole → 3-bromo-5-(3-chloro-5-fluorophenoxy)-1-(oxolan-3-yl)-1,2,4-triazole

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; Sealed tube; Inert atmosphere;

Reference yield: 99.0%

N-(2-nitro-5-chlorophenyl)-N-methylcarbamic acid t-butyl ester (299176-17-3) + 3-chloro-5-fluoro-phenol (202982-70-5) → tert-butyl [5-(3-chloro-5-fluorophenoxy)-2-nitrophenyl]methylcarbamate (1072003-33-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 80 ℃; for 10h; Inert atmosphere;

DOI:10.1016/j.bmc.2018.09.006

upstream raw materials:

1-chloro-3-fluoro-5-methoxybenzene

Downstream raw materials:

3-chloro-5-fluoro-4-(hydroxymethyl)phenol

1-(tert-butyldimethylsilyl)oxy-3-chloro-5-fluorobenzene

tert-butyl [5-(3-chloro-5-fluorophenoxy)-2-nitrophenyl]methylcarbamate

3-chloro-5-fluorophenyl 4-nitrophenyl ether

Refernces