4-Chloro-2-fluorophenol

Base Information

• Chemical Name: 4-Chloro-2-fluorophenol
• CAS No.: 348-62-9
• Molecular Formula: C6H4ClFO
• Molecular Weight: 146.549
• Hs Code.: 29081990
• European Community (EC) Number: 628-692-5
• DSSTox Substance ID: DTXSID20188339
• Nikkaji Number: J410.171E
• Wikidata: Q72451058
• Mol file: 348-62-9.mol

Synonyms:4-Chloro-2-fluorophenol;348-62-9;2-fluoro-4-chlorophenol;Phenol, 4-chloro-2-fluoro-;MFCD00075030;4-chloro-2-fluoro-phenol;4-chloro-fluorophenol;SCHEMBL414136;4-Chloro-2-fluorophenol, 99%;DTXSID20188339;AKOS009075958;AC-3774;CS-W007711;PS-8947;SY021834;AM20040244;C2264;FT-0618022;EN300-22911;A19858;J-019786;Z147646796

Chemical Property of 4-Chloro-2-fluorophenol

Chemical Property:

• Appearance/Colour: Clear colorless to light yellow liquid
• Vapor Pressure: 0.482mmHg at 25°C
• Melting Point: 20 °C(lit.)
• Refractive Index: n20/D 1.536(lit.)
• Boiling Point: 186.5 °C at 760 mmHg
• PKA: 8.26±0.18(Predicted)
• Flash Point: 81.1 °C
• PSA: 20.23000
• Density: 1.408 g/cm³
• LogP: 2.18470
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: insoluble
• XLogP3: 2.5
• 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:

99% ^*data from raw suppliers

4-Chloro-2-fluorophenol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)F)O
• Uses: 4-Chloro-2-fluorophenol was used in the enzymatic preparation of 5-chloro-3-fluorocatechol.

Technology Process of 4-Chloro-2-fluorophenol

There total 8 articles about 4-Chloro-2-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: 85.0%

4-chloro-phenol (106-48-9,82344-39-6) → 4-chloro-2-fluorophenol (348-62-9)

Guidance literature:

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

Reference yield:

4-chloro-2-fluoro-1-methoxybenzene (452-09-5) → 4-chloro-2-fluorophenol (348-62-9)

Guidance literature:

With aluminium trichloride; benzene;

DOI:10.1021/ja01510a021

Reference yield:

3-fluoro-4-methoxyaniline (366-99-4) → 4-chloro-2-fluorophenol (348-62-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; aqueous sodium nitrite solution / Behandeln des Reaktionsgemisches mit Kupfer(I)-chlorid und wss. Salzsaeure

2: aluminium chloride; benzene

With aluminium trichloride; sulfuric acid; sodium nitrite; benzene;

DOI:10.1021/ja01510a021

upstream raw materials:

2,3-dichlorofluorobenzene

4-chloro-2-fluoro-1-methoxybenzene

4-chloro-phenol

2-fluorophenol

Downstream raw materials:

2-(4-chloro-2-fluorophenoxy)acetic acid

2-(4-chloro-2-fluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone

(S)-3-[2-(4-chloro-2-fluoro-phenoxy)-6-methyl-pyridin-3-yloxymethyl]-piperidine-1-carboxylic acid tert-butyl ester

7-benzyloxy-4-(4-chloro-2-fluorophenoxy)-6-methoxyquinazoline

Refernces

• 1、 Adachi, Kenji,Ohira, Yutaka,Tomizawa, Ginjiro,Ishihara, Sumi,Oishi, Satoshi. "Electrophilic fluorination with N,N′-difluoro-2,2′-bipyridinium salt and elemental fluorine". . p. 173 - 183. Retrieved 2007/10/03.
• 2、 Soffers,Veeger,Rietjens. "Influence of the type of halogen substituent on in vivo and in vitro phase II metabolism of 2-fluoro-4-halophenol metabolites formed from 3-halo-fluorobenzenes". . p. 759 - 774. Retrieved 2007/10/03.