5-Bromo-2-fluorobenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 5-Bromo-2-fluorobenzene-1-sulfonyl chloride
• CAS No.: 339370-40-0
• Molecular Formula: C6H3BrClFO2S
• Molecular Weight: 273.51
• Hs Code.: 2904909090
• European Community (EC) Number: 838-430-3
• DSSTox Substance ID: DTXSID80656165
• Wikidata: Q82570691
• Mol file: 339370-40-0.mol

Synonyms:339370-40-0;5-bromo-2-fluorobenzene-1-sulfonyl chloride;5-Bromo-2-fluorobenzenesulphonyl chloride;5-Bromo-2-fluorobenzenesulfonyl chloride;5-Bromo-2-fluoro-benzenesulfonyl chloride;CHRYSANTHELLINA;SCHEMBL1790226;DTXSID80656165;MFCD09763690;AKOS009578251;AT13484;5-Bromo-2-fluorophenylsulfonyl chloride;DS-12466;5-bromo-2-fluorobenzene-1-sulfonylchloride;A6006;CS-0211870;EN300-61369;5-Bromo-2-fluorobenzenesulphonyl chloride 98%;5-bromo-2-fluorobenzenesulphonyl chloride, AldrichCPR;5-Bromo-2-fluorobenzene-1-sulfonyl chloride

Chemical Property of 5-Bromo-2-fluorobenzene-1-sulfonyl chloride

Chemical Property:

• Boiling Point: 297.9±25.0 °C(Predicted)
• PSA: 42.52000
• Density: 1.867±0.06 g/cm3(Predicted)
• LogP: 3.59650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.87097
• Heavy Atom Count: 12
• Complexity: 251

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-fluorobenzenesulphonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)S(=O)(=O)Cl)F

Technology Process of 5-Bromo-2-fluorobenzene-1-sulfonyl chloride

There total 2 articles about 5-Bromo-2-fluorobenzene-1-sulfonyl chloride 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: 76.0%

1-Bromo-4-fluorobenzene (460-00-4) → 5-bromo-2-fluorobenzene-1-sulfonyl chloride (339370-40-0)

Guidance literature:

With chlorosulfonic acid; at 100 ℃; for 2.5h;

Reference yield: 34.0%

5-bromo-2-fluoroaniline (2924-09-6) → 5-bromo-2-fluorobenzene-1-sulfonyl chloride (339370-40-0)

Guidance literature:

5-bromo-2-fluoroaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

With sulfur dioxide; copper(l) chloride; In water; at 0 - 20 ℃; for 1.5h;

Reference yield: 100.0%

morpholine (110-91-8,99108-56-2) + 5-bromo-2-fluorobenzene-1-sulfonyl chloride (339370-40-0) → 4-(5-bromo-2-fluorophenylsulfonyl)morpholine (1643915-62-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h;

upstream raw materials:

5-bromo-2-fluoroaniline

1-Bromo-4-fluorobenzene

Downstream raw materials:

5-bromo-2-fluoro-N-[3-fluoro-4-({6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl}oxy)phenyl]benzenesulfonamide

4-(5-bromo-2-fluorophenylsulfonyl)morpholine

Refernces

• 1、 -. "Benzothiadiazine compound, application thereof and positron drug of AMPAR". Paragraph 0079; 0081-0084. . Retrieved 2020/03/02.
• 2、 -. "SUBSTITUTED QUINOLINES AND METHODS FOR TREATING CANCER". Paragraph 0335-0336. . Retrieved 2018/05/24.