4-Bromo-2-fluorobenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Bromo-2-fluorobenzenesulfonyl chloride
• CAS No.: 216159-03-4
• Molecular Formula: C₆H₃BrClFO₂S
• Molecular Weight: 273.51
• Hs Code.: 29049090
• European Community (EC) Number: 627-329-8
• DSSTox Substance ID: DTXSID80371265
• Nikkaji Number: J3.010.327K
• Wikidata: Q72455809
• Mol file: 216159-03-4.mol

Synonyms:4-Bromo-2-fluorobenzenesulfonyl chloride;216159-03-4;4-bromo-2-fluorobenzene-1-sulfonyl chloride;4-bromo-2-fluoro-benzenesulfonyl Chloride;Benzenesulfonyl chloride, 4-bromo-2-fluoro-;MFCD01090993;2-fluoro-4-bromobenzenesulfonyl chloride;4-bromo-2-fluorobenzenesulphonyl chloride;4-Bromo-2-fluorobenzenesulfonylchloride;SCHEMBL121016;DTXSID80371265;XNYBZLRIUHNRQY-UHFFFAOYSA-N;AKOS000129630;AM83063;CS-W022095;DS-1674;4-Bromo-2-fluorophenylsulfonyl chloride;4-Bromo-2-fluoro benzenesulfonyl chloride;4-bromo-2-fluorobenzene sulfonyl chloride;4-bromo-2-fluorophenyl sulphonyl chloride;4-bromo-2-fluorobenzene-l-sulfonyl chloride;B3698;FT-0617771;2-Fluoro-4-bromobenzenesulfonic acid chloride;EN300-71429;4-Bromo-2-fluorobenzenesulfonyl chloride, 97%;A815531;J-014178

Chemical Property of 4-Bromo-2-fluorobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 2.04mmHg at 25°C
• Melting Point: 63-66 °C(lit.)
• Refractive Index: 1.449
• Boiling Point: 273.5 °C at 760 mmHg
• Flash Point: 119.2 °C
• PSA: 42.52000
• Density: 1.867 g/cm³
• LogP: 3.59650
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene
• 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%,99%, ^*data from raw suppliers

4-Bromo-2-fluorobenzenesulfonyl Chloride >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)F)S(=O)(=O)Cl
• Uses: 4-Bromo-2-fluorobenzenesulfonyl chloride may be used to synthesize (E)-4-bromo-2-fluoro-1-styrylbenzene.

Technology Process of 4-Bromo-2-fluorobenzenesulfonyl chloride

There total 2 articles about 4-Bromo-2-fluorobenzenesulfonyl 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: 43.0%

4-bromo-2-fluoroaniline (367-24-8) → 4-bromo-2-fluorobenzenesulfonyl chloride (216159-03-4)

Guidance literature:

4-bromo-2-fluoroaniline; With hydrogenchloride; acetic acid; sodium nitrite; In water; acetonitrile; at 5 ℃; for 0.666667h;

With sulfur dioxide; In water; acetonitrile; at 5 ℃; for 0.5h;

With copper(II) choride dihydrate; In water; acetonitrile; at 20 ℃; for 2h;

Reference yield: 34.0%

→ 4-bromo-2-fluorobenzenesulfonyl chloride (216159-03-4)

Guidance literature:

With hydrogenchloride; thionyl chloride; copper dichloride; sodium nitrite; In water; at 0 - 20 ℃; for 1h;

Reference yield: 99.0%

4-bromo-2-fluorobenzenesulfonyl chloride (216159-03-4) + (2R)-hydroxypropylamine (2799-16-8) → (R)-4-bromo-2-fluoro-N-(2-hydroxypropyl)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; water; at 20 ℃; for 24h;

upstream raw materials:

4-bromo-2-fluoroaniline

Downstream raw materials:

C₂₀H₁₅BrFNO₅S

C₂₀H₁₅BrFNO₅S

4-bromo-N-(tert-butyl)-2-fluorobenzenesulfonamide

4-bromo-N-(tert-butyl)-2-(neopentyloxy)benzenesulfonamide

Refernces

• 1、 -. "BIARYL DERIVATIVE AS GPR120 AGONIST". Paragraph 0423; 0427. . Retrieved 2017/11/17.