3-Fluorobenzenesulfonamide

Base Information

• Chemical Name: 3-Fluorobenzenesulfonamide
• CAS No.: 1524-40-9
• Molecular Formula: C6H6FNO2S
• Molecular Weight: 175.184
• Hs Code.: 2935009090
• European Community (EC) Number: 623-899-7
• DSSTox Substance ID: DTXSID10165013
• Wikidata: Q27460224
• Mol file: 1524-40-9.mol

Synonyms:3-FBSA;3-fluorobenzenesulfonamide

Chemical Property of 3-Fluorobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0.000316mmHg at 25°C
• Melting Point: 124.5-128.5 °C(lit.)
• Refractive Index: 1.554
• Boiling Point: 320.5 °C at 760 mmHg
• PKA: 9.87±0.60(Predicted)
• Flash Point: 147.6 °C
• PSA: 68.54000
• Density: 1.428 g/cm³
• LogP: 2.25420
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.01032777
• Heavy Atom Count: 11
• Complexity: 221

Purity/Quality:

98%min ^*data from raw suppliers

3-Fluorobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 23/24/25-36/37/38
• Safety Statements: 26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)F
• Uses: It is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 3-Fluorobenzenesulfonamide

There total 6 articles about 3-Fluorobenzenesulfonamide 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: 76.0%

sodium 3-fluorobenzenesulfinate (935447-39-5) → 3-fluorobenzenesulfonyl amide (1524-40-9)

Guidance literature:

sodium 3-fluorobenzenesulfinate; With iodine; at 20 ℃; for 0.333333h; Green chemistry;

With ammonium hydroxide; water; In ethanol; at 20 ℃; for 3h; Green chemistry;

DOI:10.1039/c4gc02236j

Reference yield: 65.0%

3-fluorothiophenol (2557-77-9) → 3-fluorobenzenesulfonyl amide (1524-40-9)

Guidance literature:

With tert.-butylhydroperoxide; ammonium hydroxide; iodine; In water; acetonitrile; at 100 ℃; for 16h;

DOI:10.1039/c6ob01301e

Reference yield: 58.0%

→ 3-fluorobenzenesulfonyl amide (1524-40-9)

Guidance literature:

With ammonium hydroxide; In methanol; at 20 ℃; for 5h;

upstream raw materials:

(3-fluorophenyl)trimethylsilane

2-Fluoro-1,4-bis-trimethylsilanyl-benzene

3-fluorobenzene-1-sulfonyl chloride

sodium 3-fluorobenzenesulfinate

Downstream raw materials:

3-dimethylamino-benzenesulfonic acid amide

N-(3-fluorobenzenesulfonyl)-4-{[[(4-chlorophenyl)sulfonyl](pyridin-2-yl-methyl)amino]methyl}benzamide

N-(2,2-Dimethyl-propionyl)-3-fluoro-benzenesulfonamide

Refernces

• 1、 -. "THIAZOLIDINONE COMPOUNDS AND USE THEREOF". Paragraph 0054; 0446-0447; 0450-0451. . Retrieved 2017/09/21.
• 2、 Yang, Kai,Ke, Miaolin,Lin, Yuanguang,Song, Qiuling. "Sulfonamide formation from sodium sulfinates and amines or ammonia under metal-free conditions at ambient temperature". . p. 1395 - 1399. Retrieved 2015/03/18.