3-Fluoro-4-nitrobenzenesulfonyl chloride

Base Information

• Chemical Name: 3-Fluoro-4-nitrobenzenesulfonyl chloride
• CAS No.: 86156-93-6
• Molecular Formula: C6H3 Cl F N O4 S
• Molecular Weight: 239.612
• Hs Code.: 2904909090
• European Community (EC) Number: 679-316-1
• DSSTox Substance ID: DTXSID10574500
• Wikidata: Q72475225
• Mol file: 86156-93-6.mol

Synonyms:86156-93-6;3-Fluoro-4-nitrobenzenesulfonyl chloride;3-fluoro-4-nitrobenzene-1-sulfonyl chloride;3-Fluoro-4-nitrophenylsulfonyl chloride;3-Fluoro-4-nitrobenzenesulfonylchloride;MFCD03412240;3-Fluoro-4-nitro-benzenesulfonyl chloride;SCHEMBL17106;DTXSID10574500;AAWFUSFNPBRQDE-UHFFFAOYSA-N;AMY17867;CK2495;CL9640;AKOS005254468;AS-46438;SY024392;3-fluoro-4-nitrobenzene-1-sulfonylchloride;CS-0148046;EN300-55294;3-fluoro-4-nitrobenzenesulfonyl chloride, AldrichCPR

Chemical Property of 3-Fluoro-4-nitrobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 7.62E-05mmHg at 25°C
• Melting Point: 45-48oC
• Boiling Point: 126°C/0.25mm
• Flash Point: 167.2°C
• PSA: 88.34000
• Density: 1.685g/cm³
• LogP: 3.26540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 238.9455346
• Heavy Atom Count: 14
• Complexity: 322

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Fluoro-4-nitrobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)F)[N+](=O)[O-]

Technology Process of 3-Fluoro-4-nitrobenzenesulfonyl chloride

There total 1 articles about 3-Fluoro-4-nitrobenzenesulfonyl 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: 62.0%

3-fluoro-4-nitroaniline (2369-13-3) → 3-fluoro-4-nitrobenzene-1-sulfonyl chloride (86156-93-6)

Guidance literature:

3-fluoro-4-nitroaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h;

With copper(II) chloride monohydrate; sulfur dioxide; acetic acid; at 25 ℃; for 1h;

Reference yield: 99.0%

3-fluoro-4-nitrobenzene-1-sulfonyl chloride (86156-93-6) → 3-fluoro-4-nitro-benzenesulfonamide (1187966-31-9)

Guidance literature:

With ammonium hydroxide; In water; acetonitrile; at 20 ℃; Cooling with ice;

Reference yield: 98.0%

N,N-dimethylammonium chloride (506-59-2) + 3-fluoro-4-nitrobenzene-1-sulfonyl chloride (86156-93-6) → 3-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.333333h;

upstream raw materials:

3-fluoro-4-nitroaniline

Downstream raw materials:

4-amino-3-fluorobenzenesulfonic acid

4-aminobenzene sulfonic acid

[(1S,2R)-3-[[(3-fluoro-4-nitrophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid 1,1-dimethylethyl ester

{1-benzyl-3-[(3-fluoro-4-nitro-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-propyl}-carbamic acid hexahydro-furo[2,3-b]furan-3-yl ester

Refernces

• 1、 -. "DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS". Page/Page column 175; 176. . Retrieved 2013/08/28.
• 2、 Courtin, Alfred. "Syntheses of Sulfonated Derivatives of 2-Fluoroaniline". . p. 68 - 75. Retrieved 2007/10/02.