2,6-Difluorobenzenesulfonyl chloride

Base Information

• Chemical Name: 2,6-Difluorobenzenesulfonyl chloride
• CAS No.: 60230-36-6
• Molecular Formula: C6H3ClF2O2S
• Molecular Weight: 212.604
• Hs Code.: 29049090
• European Community (EC) Number: 626-498-5
• DSSTox Substance ID: DTXSID50370189
• Nikkaji Number: J2.644.423C
• Wikidata: Q72462456
• Mol file: 60230-36-6.mol

Synonyms:2,6-Difluorobenzenesulfonyl chloride;60230-36-6;2,6-Difluorobenzene-1-Sulfonyl Chloride;2,6-difluorobenzenesulfonylchloride;2,6-difluorobenzenesulphonyl chloride;BENZENESULFONYL CHLORIDE, 2,6-DIFLUORO-;2,6-difluorobenzene sulfonyl chloride;MFCD00085004;SCHEMBL532887;QXWAUQMMMIMLTO-UHFFFAOYSA-;DTXSID50370189;QXWAUQMMMIMLTO-UHFFFAOYSA-N;2,6-difluorophenylsulfonyl chloride;2,6-diflurobenzenesulfonyl chloride;2,6-difluoro-benzenesulfonyl chloride;2,6-difluorobenzene-sulphonyl chloride;AKOS000813750;2,6-difluoro benzene sulfonyl chloride;2,6-difluoro-benzene-sulfonyl chloride;AM62492;CS-W007930;2,6-Difluorobenzene-1-SulfonylChloride;PS-10902;2,6-Difluorobenzenesulfonyl chloride, 97%;D2940;FT-0640672;EN300-06832;A24244;F9995-0416;InChI=1/C6H3ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-3H

Chemical Property of 2,6-Difluorobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.129mmHg at 25°C
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 225.4 °C at 760 mmHg
• Flash Point: 90.1 °C
• PSA: 42.52000
• Density: 1.58 g/cm³
• LogP: 2.97310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 211.9510345
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluorobenzenesulfonyl Chloride >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)S(=O)(=O)Cl)F
• Uses: 2,6-Difluorobenzenesulfonyl chloride may be used in the synthesis of 2,6-difluorobenzenesulfonamide and benzoxathiazocine 1,1-dioxides core scaffolds.

Technology Process of 2,6-Difluorobenzenesulfonyl chloride

There total 2 articles about 2,6-Difluorobenzenesulfonyl 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:

1,3-Difluorobenzene (372-18-9) → 2,6-difluorobenzene-1-sulfonyl chloride (60230-36-6)

Guidance literature:

1,3-Difluorobenzene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 3h;

With sulfur dioxide; In diethyl ether; hexane; at -60 ℃; for 0.333333h;

With N-chloro-succinimide; In diethyl ether; hexane; at -60 - 20 ℃; for 1h;

Reference yield:

→ 2,6-difluorobenzene-1-sulfonyl chloride (60230-36-6)

Guidance literature:

2.6-Difluorbenzol, 1) Butyl-Li, 2) SO2Cl2;

DOI:10.1021/jf60207a051

Reference yield: 99.0%

2,6-difluorobenzene-1-sulfonyl chloride (60230-36-6) → 2,6-difluorobenzene-1-sulfonamide (60230-37-7)

Guidance literature:

With ammonia; In tetrahydrofuran; at 0 - 20 ℃;

upstream raw materials:

1,3-Difluorobenzene

Downstream raw materials:

methyl 2-{[(2,6-difluorophenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-1-naphthalenecarboxylate

2,6-difluorobenzene-1-sulfonamide

(S)-N-{[1-(7-chloro-1,4-benzodioxan-2-ylmethyl)-4-piperidyl]methyl}-2,6-difluoro-benzenesulphonamide

C₂₈H₂₆F₂N₂O₄S

Refernces

• 1、 -. "Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists". . . Retrieved 2008/06/13.