3-Chloro-2-fluorobenzenesulfonyl chloride

Base Information

• Chemical Name: 3-Chloro-2-fluorobenzenesulfonyl chloride
• CAS No.: 351003-48-0
• Molecular Formula: C6H3Cl2FO2S
• Molecular Weight: 229.059
• Hs Code.: 29049090
• European Community (EC) Number: 624-200-8
• DSSTox Substance ID: DTXSID90380863
• Wikidata: Q72450528
• Mol file: 351003-48-0.mol

Synonyms:3-Chloro-2-fluorobenzenesulfonyl chloride;351003-48-0;3-Chloro-2-fluorobenzenesulphonyl chloride;3-chloro-2-fluorobenzene-1-sulfonyl chloride;Benzenesulfonyl chloride, 3-chloro-2-fluoro-;3-chloro-2-fluorophenylsulfonyl chloride;3-chloro-2-fluoro-benzenesulfonyl Chloride;3-chloro-2-fluorobenzenesulphonylchloride;SCHEMBL532898;DTXSID90380863;LIRQNYQIFFLGIE-UHFFFAOYSA-N;MFCD03094234;AKOS009159510;AM62503;CS-W008244;3-chloro-2-fluorobenzenesulfonylchloride;3-chloro-2-fluorobenzensulphonyl chloride;DS-15799;C2553;FT-0615337;EN300-39480;A24234;3-Chloro-2-fluorobenzenesulfonyl chloride, 97%;J-512185

Chemical Property of 3-Chloro-2-fluorobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00435mmHg at 25°C
• Refractive Index: n20/D 1.5540(lit.)
• Boiling Point: 287.22 °C at 760 mmHg
• Flash Point: 127.506 °C
• PSA: 42.52000
• Density: 1.61 g/cm³
• LogP: 3.48740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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: 227.9214841
• Heavy Atom Count: 12
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-2-fluorobenzenesulfonyl 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)Cl)F)S(=O)(=O)Cl
• Uses: It is employed as a pharmaceutical intermediate.

Technology Process of 3-Chloro-2-fluorobenzenesulfonyl chloride

There total 2 articles about 3-Chloro-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:

3-chloro-2-fluoroaniline (2106-04-9) → 3-chloro-2-fluorobenzene-1-sulfonyl chloride (351003-48-0)

Guidance literature:

With hydrogenchloride; sulfur dioxide; acetic acid; copper dichloride; sodium nitrite; In water; at -5 ℃; for 0.25h;

DOI:10.1021/jm501268r

Reference yield:

→ 3-chloro-2-fluorobenzene-1-sulfonyl chloride (351003-48-0)

Guidance literature:

Reference yield: 82.0%

3-chloro-2-fluorobenzene-1-sulfonyl chloride (351003-48-0) + tert-butyl ((1-(2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)piperidin-4-yl)methyl)carbamate → 3-chloro-2-fluoro-N-[(1-{2-[(2,2,2-trifluoroethoxy)phenoxy]ethyl}piperidin-4-yl)methyl]benzenesulfonamide

Guidance literature:

tert-butyl ((1-(2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)piperidin-4-yl)methyl)carbamate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

3-chloro-2-fluorobenzene-1-sulfonyl chloride; With triethylamine; In dichloromethane; at 0 ℃;

DOI:10.3390/molecules23092175

upstream raw materials:

3-chloro-2-fluoroaniline

Downstream raw materials:

methyl 2-{[(3-chloro-2-fluorophenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-1-naphthalenecarboxylate

3-Chloro-2-fluoro-N-(2-sulfamoylphenyl)benzenesulfonamide

C₂₃H₂₂ClNO₄S

N'-(3-chloro-2-fluorophenylsulfonyl)-N,4-diethyl-4,5-dihydro-1H-pyrazole-1-carboxamidine

Refernces

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