(4-Amino-3-bromophenyl)pentafluorosulfur

Base Information

• Chemical Name: (4-Amino-3-bromophenyl)pentafluorosulfur
• CAS No.: 159727-25-0
• Molecular Formula: C₆H₅BrF₅NS
• Molecular Weight: 298.074
• Hs Code.: 2922390090
• European Community (EC) Number: 828-990-7
• DSSTox Substance ID: DTXSID60514512
• Nikkaji Number: J2.071.572C
• Wikidata: Q82374884
• Mol file: 159727-25-0.mol

Synonyms:159727-25-0;2-bromo-4-(pentafluorosulfanyl)aniline;(4-Amino-3-bromophenyl)pentafluorosulfur;2-bromo-4-(pentafluoro-lambda6-sulfanyl)aniline;4-Amino-3-bromophenylsulphur pentafluoride;2-Bromo-4-(pentafluorothio)aniline;SCHEMBL1633801;DTXSID60514512;BYEXDMPBPSYTNU-UHFFFAOYSA-N;MFCD20731078;AKOS025213021;AT25752;4-Amino-3-bromophenylsulfur pentafluoride;4-amino-3-bromophenyl sulfur pentafluoride;CS-0233165;2-bromo-4-(pentafluoro-|E?-sulfanyl)aniline;EN300-131367;2-BROMO-4-(PENTAFLUORO-L6-SULFANYL)ANILINE;2-Bromo-4-(pentafluoro-lambda~6~-sulfanyl)aniline

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

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 296.92462
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

99%, ^*data from raw suppliers

2-Bromo-4-(pentafluorosulfanyl)aniline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 7 articles about (4-Amino-3-bromophenyl)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: 98.0%

4-(pentafluorosulfanyl)aniline (2993-24-0) → 2-bromo-4-(pentafluoro-λ6-sulfanyl)aniline (159727-25-0)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.3390/molecules25235536

Reference yield: 85.0%

1-nitro-4-(pentafluorosulfanyl)benzene (2613-27-6) → 2-bromo-4-(pentafluoro-λ6-sulfanyl)aniline (159727-25-0)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In dichloromethane; at 3 - 20 ℃; for 2h;

Reference yield:

(3-bromophenyl)pentafluoro-λ6-sulfane (672-30-0) → 2-bromo-4-(pentafluoro-λ6-sulfanyl)aniline (159727-25-0) + 2-(5-bromo-2-aminophenyl)sulfur pentafluoride

Guidance literature:

(3-bromophenyl)pentafluoro-λ⁶-sulfane; With sulfuric acid; nitric acid; trifluoroacetic acid; at 20 ℃; for 48h;

With hydrogenchloride; iron; In ethanol; at 90 - 95 ℃; for 2h;

DOI:10.1021/ol0491991

upstream raw materials:

4-(pentafluorosulfanyl)aniline

(3-bromophenyl)pentafluoro-λ⁶-sulfane

cyclohexa-1,4-diene

4,5-dichlorocyclohexene

Downstream raw materials:

2-methyl-4-(pentafluorosulfanyl)benzenamine

2-allyl-4-(pentafluorosulfanyl)aniline

2-bromo-1-iodo-4-(pentafluorosulfanyl)benzene

1,1'-disulfanediylbis[2-bromo-4-(pentafluorosulfanyl)benzene]