(4-Amino-3-chlorophenyl)pentafluorosulfur

Base Information

• Chemical Name: (4-Amino-3-chlorophenyl)pentafluorosulfur
• CAS No.: 165114-85-2
• Molecular Formula: C₆H₅ClF₅NS
• Molecular Weight: 253.623
• Hs Code.: 2922390090
• DSSTox Substance ID: DTXSID20477816
• Mol file: 165114-85-2.mol

Synonyms:165114-85-2;(4-Amino-3-chlorophenyl)pentafluorosulfur;4-Amino-3-chlorophenylsulphur pentafluoride;2-chloro-4-(pentafluoro-lambda6-sulfanyl)aniline;2-Chloro-4-(pentafluorosulfur)aniline;AGN-PC-0NHU53;SCHEMBL5880462;DTXSID20477816;MFCD20731080;AKOS025402871;JS-4022;2-Chloro-4-(pentafluorosulfanyl)aniline;2-Chloro-4-(pentafluorosulphanyl)aniline;CS-0447784;2-CHLORO-4-(PENTAFLUORO-??-SULFANYL)ANILINE

Chemical Property of (4-Amino-3-chlorophenyl)pentafluorosulfur

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 252.9751388
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-3-chlorophenylsulfurpentafluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(F)(F)(F)(F)F)Cl)N

Technology Process of (4-Amino-3-chlorophenyl)pentafluorosulfur

There total 2 articles about (4-Amino-3-chlorophenyl)pentafluorosulfur 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: 92.0%

4-(pentafluorosulfanyl)aniline (2993-24-0) → 2-chloro-4-(pentafluoro-λ6-sulfanyl)aniline (165114-85-2)

Guidance literature:

With N-chloro-succinimide; In acetonitrile; at 60 ℃; for 3h; Reflux;

Reference yield:

1-nitro-4-(pentafluorosulfanyl)benzene (2613-27-6) → 2-chloro-4-(pentafluoro-λ6-sulfanyl)aniline (165114-85-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / H₂ / Raney nickel / ethanol

2: NCS / acetonitrile

With N-chloro-succinimide; hydrogen; nickel; In ethanol; acetonitrile;

DOI:10.2533/000942904777678172

Reference yield: 79.0%

N-(1,1-dimethyl-2-methylthioethyl)-6-iodophthalic acid isoimide (475296-09-4) + 2-chloro-4-(pentafluoro-λ6-sulfanyl)aniline (165114-85-2) → N1-(2-chloro-4-pentafluorosulfanylphenyl)-N2-(1,1-dimethyl-2-methylthioethyl)-3-iodophthalamide

Guidance literature:

With trifluoroacetic acid; In acetonitrile; at 20 ℃; for 2h;

upstream raw materials:

4-(pentafluorosulfanyl)aniline

1-nitro-4-(pentafluorosulfanyl)benzene

Downstream raw materials:

3,4-dichlorophenylsulfur pentafluoride

2,6-dichloro-4-(pentafluorosulfanyl)aniline

C₆H₂Cl₂F₆S

C₁₃H₈ClF₅O₃S