2,4,5-Trifluorobenzenesulfonamide

Base Information

• Chemical Name: 2,4,5-Trifluorobenzenesulfonamide
• CAS No.: 287172-63-8
• Molecular Formula: C6H4F3NO2S
• Molecular Weight: 211.164
• Hs Code.: 2935009090
• European Community (EC) Number: 670-813-9
• DSSTox Substance ID: DTXSID00380314
• Wikidata: Q72510848
• Mol file: 287172-63-8.mol

Synonyms:2,4,5-trifluorobenzenesulfonamide;287172-63-8;2,4,5-trifluorobenzene-1-sulfonamide;2,4,5-trifluorobenzenesulphonamide;SCHEMBL1137624;DTXSID00380314;MFCD01569462;SC5046;AKOS008160965;Benzenesulfonamide, 2,4,5-trifluoro-;DS-6047;SB78704;CS-0179141;FT-0676270;EN300-271044;A876654

Chemical Property of 2,4,5-Trifluorobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0.000805mmHg at 25°C
• Boiling Point: 305.8°C at 760 mmHg
• Flash Point: 138.7°C
• PSA: 68.54000
• Density: 1.611±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.53240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 210.99148403
• Heavy Atom Count: 13
• Complexity: 276

Purity/Quality:

97% ^*data from raw suppliers

2,4,5-Trifluorobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)S(=O)(=O)N)F)F

Technology Process of 2,4,5-Trifluorobenzenesulfonamide

There total 1 articles about 2,4,5-Trifluorobenzenesulfonamide 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: 98.0%

2,4,5-trifluorobenzene-1-sulfonyl chloride (220227-21-4) → 2,4,5-trifluorobenzenesulfonamide (287172-63-8)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; at 20 ℃;

Reference yield: 70.5%

2,4,5-trifluorobenzenesulfonamide (287172-63-8) + N-Methyl-O-phenylcarbamat (1943-79-9) → 2,4,5-trifluoro-N-(methylcarbamoyl)benzenesulfonamide

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; for 8h; Reflux;

Reference yield: 49.0%

(2E)-3-(5-fluoro-3-methyl-1H-indol-7-yl)acrylic acid (882999-50-0) + 2,4,5-trifluorobenzenesulfonamide (287172-63-8) → 2,4,5-trifluoro-N-[(E)-3-(5-fluoro-3-methyl-1H-indol-7-yl)acryloyl]benzenesulfonamide (883000-83-7)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 72h;

DOI:10.1021/jm9005912

upstream raw materials:

2,4,5-trifluorobenzene-1-sulfonyl chloride

Downstream raw materials:

C₂₅H₂₃F₅N₂O₄S

C₂₅H₂₁Cl₂F₃N₂O₄S

C₂₅H₂₁Cl₂F₃N₂O₄S

C₂₅H₂₁F₅N₂O₄S

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