4-Chloro-2-fluoroanisole

Base Information

• Chemical Name: 4-Chloro-2-fluoroanisole
• CAS No.: 452-09-5
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 2909309090
• European Community (EC) Number: 625-001-9
• NSC Number: 10330
• UNII: 727D82AC8X
• DSSTox Substance ID: DTXSID60278849
• Nikkaji Number: J113.017J
• Wikidata: Q82011013
• Mol file: 452-09-5.mol

Synonyms:4-Chloro-2-fluoroanisole;452-09-5;4-Chloro-2-fluoro-1-methoxybenzene;Benzene, 4-chloro-2-fluoro-1-methoxy-;4-CHLORO-2-FLUORO-1-METHOXY-BENZENE;Anisole, 4-chloro-2-fluoro-;MFCD00672964;NSC-10330;NSC10330;2-Fluoro-4-chloroanisole;Chlor-4 Methoxy-5 Fluorbenzol;SCHEMBL1765256;DTXSID60278849;4-Chloro-2-fluoroanisole, 98%;727D82AC8X;1-Chloro-3-fluoro-4-methoxybenzene;AKOS015889951;4-Chloro-2-fluoro-1-methoxybenzene #;JS-4297;AC-25973;CS-0159916;FT-0618016;A19905;N12152

Chemical Property of 4-Chloro-2-fluoroanisole

Chemical Property:

• Vapor Pressure: 0.8mmHg at 25°C
• Refractive Index: n20/D 1.518(lit.)
• Boiling Point: 189.1 °C at 760 mmHg
• Flash Point: 68.2 °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

4-Chloro-2-fluoro-1-methoxy-benzene ^*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)Cl)F

Technology Process of 4-Chloro-2-fluoroanisole

There total 7 articles about 4-Chloro-2-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: 7.0%

4-chloromethoxybenzene (623-12-1) → 4-chloro-2-fluoro-1-methoxybenzene (452-09-5)

Guidance literature:

With N-fluorobis(benzenesulfon)imide; at 105 ℃; for 3h;

DOI:10.1134/S107042800910008X

Reference yield: 7.0%

→ 4-chloro-2-fluoro-1-methoxybenzene (452-09-5)

Guidance literature:

Reference yield:

tetrafluoroboric acid + 2-methoxy-5-chloro-aniline-hydrochloride (4274-03-7) → 4-chloro-2-fluoro-1-methoxybenzene (452-09-5)

Guidance literature:

With sodium bicarbonate; sodium nitrite; In hydrogenchloride; water;

upstream raw materials:

3-fluoro-4-methoxyaniline

5-chloro-2-methoxyaniline

1-fluoro-2-methoxybenzene

4-chloromethoxybenzene

Downstream raw materials:

4-chloro-2-fluorophenol

2-chloro-6-fluoro-5-methoxybenzaldehyde

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

(6-chloro-2-fluoro-3-methoxyphenyl) boronic acid