1-Chloro-2-(dichloromethyl)-3-fluorobenzene

Base Information

• Chemical Name: 1-Chloro-2-(dichloromethyl)-3-fluorobenzene
• CAS No.: 62476-62-4
• Molecular Formula: C7H4Cl3F
• Molecular Weight: 213.466
• Hs Code.: 2903999090
• European Community (EC) Number: 263-562-8
• DSSTox Substance ID: DTXSID70978060
• Nikkaji Number: J307.052B
• Wikidata: Q82963407
• Mol file: 62476-62-4.mol

Synonyms:62476-62-4;1-Chloro-2-(dichloromethyl)-3-fluorobenzene;2-Chloro-6-fluorobenzal chloride;ALPHA,ALPHA,2-TRICHLORO-6-FLUOROTOLUENE;EINECS 263-562-8;a,a,2-Trichloro-6-fluorotoluene;Benzene,1-chloro-2-(dichloromethyl)-3-fluoro-;SCHEMBL7181065;DTXSID70978060;MFCD00000830;AB92167;AS-40904;FT-0611850;1-Chloro-2-(dichloromethyl)-3-fluorobenzene #;Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro-;W-104994

Chemical Property of 1-Chloro-2-(dichloromethyl)-3-fluorobenzene

Chemical Property:

• Appearance/Colour: UN 3265
• Vapor Pressure: 0.129mmHg at 25°C
• Refractive Index: n20/D 1.551(lit.)
• Boiling Point: 225.4 °C at 760 mmHg
• Flash Point: 99.7 °C
• PSA: 0.00000
• Density: 1.467 g/cm³
• LogP: 3.95530
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 211.936261
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

1-chloro-2-(dichloromethyl)-3-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Chloro-2-(dichloromethyl)-3-fluorobenzene

There total 2 articles about 1-Chloro-2-(dichloromethyl)-3-fluorobenzene 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: 78.0%

2-chloro-6-fluoro-α, α, α-trichlorotoluene (84473-83-6) → 2-chloro-6-fluoro-α,α-dichlorotoluene (62476-62-4)

Guidance literature:

With thiophenol; copper(I) bromide; at 120 ℃; for 10h;

DOI:10.1016/S0022-1139(00)83074-2

Reference yield:

2-chloro-6-fluorotoluene (443-83-4) → 2-chloro-6-fluoro-α,α-dichlorotoluene (62476-62-4)

Guidance literature:

With phosphorus pentachloride; at 185 ℃; Einleiten von Chlor;

Reference yield: 58.0%

2-chloro-6-fluoro-α,α-dichlorotoluene (62476-62-4) → 2-chloro-6-fluorotoluene (443-83-4) + C14H8Cl2F2

Guidance literature:

With magnesium; at 600 ℃;

upstream raw materials:

2-chloro-6-fluorotoluene

2-chloro-6-fluoro-α, α, α-trichlorotoluene

Downstream raw materials:

2-chloro-6-fluorotoluene