2-Chloro-4-fluoroanisole

Base Information

• Chemical Name: 2-Chloro-4-fluoroanisole
• CAS No.: 2267-25-6
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 29093090
• DSSTox Substance ID: DTXSID60378570
• Nikkaji Number: J1.782.478C
• Wikidata: Q72450458
• Mol file: 2267-25-6.mol

Synonyms:2-Chloro-4-fluoroanisole;2267-25-6;2-chloro-4-fluoro-1-methoxybenzene;Benzene, 2-chloro-4-fluoro-1-methoxy-;Anisole, 2-chloro-4-fluoro-;SCHEMBL2249460;DTXSID60378570;2-Chloro-4-fluoroanisole, 97%;RKCGJVGMRPKPNY-UHFFFAOYSA-N;MFCD00672965;AKOS006223895;AC-3770;AM61848;CS-W016148;JS-4296;C1667;FT-0634173;A19855;EN300-1241647;J-014806

Chemical Property of 2-Chloro-4-fluoroanisole

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.711mmHg at 25°C
• Melting Point: 197-200 °C
• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 191.5 °C at 760 mmHg
• Flash Point: 69.6 °C
• PSA: 9.23000
• Density: 1.239 g/cm³
• LogP: 2.48770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.0091207
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)F)Cl

Technology Process of 2-Chloro-4-fluoroanisole

There total 12 articles about 2-Chloro-4-fluoroanisole 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: 93.0%

1-fluoro-4-methoxybenzene (459-60-9) → 2-chloro-4-fluoro-1-methoxy-benzene (2267-25-6)

Guidance literature:

With N-chloro-succinimide; boron trifluoride diethyl etherate; In 2,2,2-trifluoroethanol; at 20 ℃; for 16h;

DOI:10.1002/adsc.201300127

Reference yield: 80.0%

1-fluoro-4-methoxybenzene (459-60-9) → 2-chloro-4-fluoro-1-methoxy-benzene (2267-25-6) + 4-fluoro-2-iodo-1-methoxybenzene (3824-22-4)

Guidance literature:

With hydridodichloridoiodine; iodine; for 16h; Reflux;

DOI:10.1002/adsc.201300127

Reference yield:

potassium 3-chloro-4-methoxyphenyl trifluoroborate → 2-chloro-4-fluoro-1-methoxy-benzene (2267-25-6)

Guidance literature:

With lithium hydroxide monohydrate; silver trifluoromethanesulfonate; Selectfluor; In ethyl acetate; at 55 ℃; Sealed tube;

DOI:10.1016/j.tet.2014.10.055

upstream raw materials:

5-fluoro-2-methoxy-aniline

1-fluoro-4-methoxybenzene

4-fluoro-1-methoxy-2-nitrobenzene

1,2-dimethoxyethane

Downstream raw materials:

2-chloro-4-fluorophenol

4-chloro-2-fluoro-5-methoxybenzyl chloride

2-(dec-1-ynyl)-4-fluoro-1-methoxybenzene

Refernces

• 1、 Dubbaka, Srinivas Reddy,Narreddula, Venkateswara Reddy,Gadde, Satyanarayana,Mathew, Thresen. "Silver-mediated fluorination of potassium aryltrifluoroborates with Selectfluor Dedicated to Professor Andrea Vasella on the occasion of his 71st birthday". . p. 9676 - 9681. Retrieved 2015/01/08.
• 2、 Xue, Na,Zhou, Yuhan,Wang, Guowei,Miao, Weirong,Qu, Jingping. "Syntheses and herbicidal activity of pyrazolyl benzoxazole derivatives". scheme or table. p. 15 - 21. Retrieved 2010/05/03.