2-Bromo-4-fluorobenzenesulfonyl chloride

Base Information

• Chemical Name: 2-Bromo-4-fluorobenzenesulfonyl chloride
• CAS No.: 351003-45-7
• Molecular Formula: C₆H₃BrClFO₂S
• Molecular Weight: 273.51
• Hs Code.: 29049090
• European Community (EC) Number: 625-522-1
• DSSTox Substance ID: DTXSID60380815
• Wikidata: Q72455814
• Mol file: 351003-45-7.mol

Synonyms:351003-45-7;2-Bromo-4-fluorobenzenesulfonyl chloride;2-bromo-4-fluorobenzene-1-sulfonyl chloride;2-bromo-4-fluorobenzenesulphonyl chloride;2-Bromo-4-fluorobenzenesulfonylchloride;4-fluoro-2-bromobenzenesulfonyl chloride;2-bromo-4-fluoro-benzenesulfonyl Chloride;Benzenesulfonyl chloride, 2-bromo-4-fluoro-;MFCD03094149;SCHEMBL434170;DTXSID60380815;GJPWPFVLPNTOOL-UHFFFAOYSA-N;AKOS009158526;4-fluoro-2-bromobenzenesulfonylchloride;AM62496;CS-W012342;2-bromo-4-fluorobenzenesufonyl chloride;2-Bromo-4-fluorophenylsulfonyl chloride;2-bromo-4-fluorobenzene sulfonyl chloride;2-bromo-4-fluorobenzene-sulfonyl chloride;AS-38686;2-bromo-4-fluoro-benzene sulfonyl chloride;FT-0611451;EN300-39789;2-Bromo-4-fluorobenzenesulfonyl chloride, 97%;A24238;J-508294

Chemical Property of 2-Bromo-4-fluorobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 37-39 °C
• Refractive Index: n20/D 1.5780(lit.)
• Boiling Point: 317.945 °C at 760 mmHg
• Flash Point: 146.088 °C
• PSA: 42.52000
• Density: 1.867 g/cm³
• LogP: 3.59650
• Sensitive.: Moisture Sensitive
• Water Solubility.: Hydrolyzes in water.
• 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

2-Bromo-4-fluorobenzenesulfonyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Br)S(=O)(=O)Cl
• Uses: 2-Bromo-4-fluorobenzenesulfonyl chloride is used as a pharmaceutical intermediate.

Technology Process of 2-Bromo-4-fluorobenzenesulfonyl chloride

There total 1 articles about 2-Bromo-4-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:

3-fluorobromobenzene (1073-06-9) → 2-bromo-4-fluorobenzene-1-sulfonyl chloride (351003-45-7)

Guidance literature:

With chlorosulfonic acid; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201300795

Reference yield: 84.0%

morpholine (110-91-8,99108-56-2) + 2-bromo-4-fluorobenzene-1-sulfonyl chloride (351003-45-7) → 1-(2-bromo-4-fluorobenzenesulfonyl)morpholine (1183738-19-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201300795

Reference yield: 83.0%

2-bromo-4-fluorobenzene-1-sulfonyl chloride (351003-45-7) + hexamethylene imine (111-49-9) → 1-(2-bromo-4-fluorobenzenesulfonyl)azepane (1178943-19-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201300795

upstream raw materials:

3-fluorobromobenzene

Downstream raw materials:

7-[2-((Z)-3-diethylaminoprop-1-enyl)-4-fluorobenzenesulfonylamino]-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylic acid

7-[2-((Z)-3-diethylaminoprop-1-enyl)-4-fluorobenzenesulfonyl-amino]-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate

methyl 7-(2-bromo-4-fluorobenzenesulfonylamino)-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate

1-(2-bromo-4-fluorobenzenesulfonyl)azepane

Refernces