4-Chloro-2-fluoro-1-isocyanatobenzene

Base Information

• Chemical Name: 4-Chloro-2-fluoro-1-isocyanatobenzene
• CAS No.: 69922-26-5
• Molecular Formula: C7H3ClFNO
• Molecular Weight: 171.558
• DSSTox Substance ID: DTXSID901296873
• Mol file: 69922-26-5.mol

Synonyms:4-chloro-2-fluoro-1-isocyanatobenzene;4-Chloro-2-fluorophenyl isocyanate;69922-26-5;4-chloro-2-fluorophenylisocyanate;2-fluoro-4-chlorophenyl isocyanate;SCHEMBL163398;HHFPUBQPIUYQJW-UHFFFAOYSA-N;DTXSID901296873;GEO-03222;MFCD03701600;AKOS000177819;4-chloro-2-fluoro-1-isocyanato benzene;VS-14341;4-Chloro-2-fluorophenyl isocyanate, 97%;EN300-249689

Chemical Property of 4-Chloro-2-fluoro-1-isocyanatobenzene

Chemical Property:

• PSA: 29.43000
• LogP: 2.44640
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 170.9887196
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

4-Chloro-2-fluoro-1-isocyanatobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)F)N=C=O

Technology Process of 4-Chloro-2-fluoro-1-isocyanatobenzene

There total 2 articles about 4-Chloro-2-fluoro-1-isocyanatobenzene 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:

2-fluoro-4-chloroaniline (57946-56-2) → 2-fluoro-4-chlorophenyl isocyanate (69922-26-5)

Guidance literature:

In toluene;

Reference yield:

2-fluoro-4-chloroaniline (57946-56-2) + trichloromethyl chloroformate (503-38-8) → 1-(5-Amino-4-chloro-2-fluorophenyl)-1,4-dihydro-4-(3-fluoropropyl-5H-tetrazol-5-one + 2-fluoro-4-chlorophenyl isocyanate (69922-26-5)

Guidance literature:

In toluene;

Reference yield: 95.0%

2-fluoro-4-chlorophenyl isocyanate (69922-26-5) + 2-(4-amino-6-(benzyl(propyl)amino)pyridin-2-yl)benzonitrile → 1-(2-(benzyl(propyl)amino)-6-(2-cyanophenyl)pyridin-4-yl)-3-(4-chloro-2-fluorophenyl)urea

Guidance literature:

With triethylamine; In tetrahydrofuran; at 55 ℃; for 2h; Inert atmosphere;

upstream raw materials:

2-fluoro-4-chloroaniline

trichloromethyl chloroformate

Downstream raw materials:

3-(2-fluoro-4-chlorophenyl)-6-(2-fluorophenyl)-2,4(1H,3H)-pyrimidinedione

4-(4-chloro-2-fluoro-phenylcarbamoyl)-thiomorpholine-3-carboxylic acid ethyl ester

2-(2-Fluoro-4-chlorophenyl)-5,6,8,8A-tetrahydro-1H-imidazo-[5,1-c][1,4]thiazine-1,3(2H)-dione

(R)-2-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)-N-(4-chloro-2-fluorophenyl)pyrrolidine-1-carboxamide