2-Chloro-4-fluorobenzotrichloride

Base Information

• Chemical Name: 2-Chloro-4-fluorobenzotrichloride
• CAS No.: 88578-92-1
• Molecular Formula: C7H3Cl4F
• Molecular Weight: 247.91
• Hs Code.: 2917399590
• DSSTox Substance ID: DTXSID20603118
• Wikidata: Q82500388
• Mol file: 88578-92-1.mol

Synonyms:2-Chloro-4-fluorobenzotrichloride;88578-92-1;2-chloro-4-fluoro-1-(trichloromethyl)benzene;2-Chloro-6-fluoro-3-(trichloromethyl)benzene;C7H3Cl4F;SCHEMBL3978795;2-Chloro-4-fluorobenzotrichoride;DTXSID20603118;2-Chloro-4-fluoro benzotrichloride;MFCD06658254

Chemical Property of 2-Chloro-4-fluorobenzotrichloride

Chemical Property:

• Vapor Pressure: 0.0241mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 256.9 °C at 760 mmHg
• Flash Point: 121.9 °C
• PSA: 0.00000
• Density: 1.579 g/cm³
• LogP: 4.30580
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 247.894339
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4-fluorobenzotrichloride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)C(Cl)(Cl)Cl

Technology Process of 2-Chloro-4-fluorobenzotrichloride

There total 1 articles about 2-Chloro-4-fluorobenzotrichloride 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:

3,4-dimethyl-fluorobenzene (452-64-2) → 2-chloro-4-fluorobenzal chloride (890933-16-1) + 2-chloro-5-fluorobenzal chloride (890933-15-0) + 2-chloro-4-fluoro-benzotrichloride (88578-92-1) + 2-chloro-5-fluorobenzotrichloride (890933-17-2) + 3,4-bis(dichloromethyl)fluorobenzene (890933-14-9) + 2-trichloromethyl-4-fluorobenzal chloride (890933-13-8) + 2-trichloromethyl-5-fluorobenzal chloride (852462-69-2)

Guidance literature:

With chlorine; 2,2'-azobis(isobutyronitrile); at 65 - 180 ℃; for 12h; Product distribution / selectivity;

Reference yield: 98.23%

2-chloro-4-fluoro-benzotrichloride (88578-92-1) → 2-chloro-4-fluoro-5-nitro-benzotrichloride (908009-54-1)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 1.5h; Temperature;

Reference yield:

2-chloro-4-fluorobenzal chloride (890933-16-1) + 2-chloro-5-fluorobenzal chloride (890933-15-0) + 2-chloro-4-fluoro-benzotrichloride (88578-92-1) + 2-chloro-5-fluorobenzotrichloride (890933-17-2) + 3,4-bis(dichloromethyl)fluorobenzene (890933-14-9) + 2-trichloromethyl-4-fluorobenzal chloride (890933-13-8) + 2-trichloromethyl-5-fluorobenzal chloride (852462-69-2) → 2-chlorodifluoromethyl-4-fluorobenzal chloride (890933-20-7) + 2-trifluoromethyl-4-fluorobenzal chloride (858672-66-9) + 2-dichlorofluoromethyl-4-fluorobenzal chloride (890933-21-8) + 2-chlorofluoromethyl-5-fluorobenzotrifluoride (890933-18-3) + 2-trifluoromethyl-5-fluorobenzal chloride (852462-70-5) + 2-chlorodifluoromethyl-5-fluorobenzal chloride (890933-19-4) + 2-chlorofluoromethyl-4-fluorobenzotrifluoride (90381-02-5)

Guidance literature:

With hydrogen fluoride; at 70 - 80 ℃; for 8 - 9h; under 15001.5 - 23252.3 Torr; Product distribution / selectivity;

upstream raw materials:

3,4-dimethyl-fluorobenzene

Downstream raw materials:

2-chlorodifluoromethyl-4-fluorobenzal chloride

2-trifluoromethyl-4-fluorobenzal chloride

2-dichlorofluoromethyl-4-fluorobenzal chloride

2-chlorofluoromethyl-5-fluorobenzotrifluoride

Refernces