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2,5-Difluorobenzenesulphonamide

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Name

2,5-Difluorobenzenesulphonamide

EINECS N/A
CAS No. 120022-63-1 Density 1.523 g/cm3
PSA 68.54000 LogP 2.39330
Solubility N/A Melting Point 135-139 °C(lit.)
Formula C6H5F2NO2S Boiling Point 320.144 °C at 760 mmHg
Molecular Weight 193.174 Flash Point 147.418 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 120022-63-1 (2,5-DIFLUOROBENZENESULFONAMIDE) Hazard Symbols IrritantXi
Synonyms

2,5-Difluorobenzenesulfonamide;

 

2,5-Difluorobenzenesulphonamide Specification

The IUPAC name of this chemical is 2,5-difluorobenzenesulfonamide. With the CAS registry number 120022-63-1, it is also named as Benzenesulfonamide, 2,5-difluoro-. The product's categories are Sulfonamide; Organic Building Blocks; Sulfonamides / Sulfinamides; Sulfur Compounds. And it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.68; (6)ACD/BCF (pH 7.4): 2.66; (7)ACD/KOC (pH 5.5): 70.48; (8)ACD/KOC (pH 7.4): 69.92; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 39.41 cm3; (14)Molar Volume: 126.8 cm3; (15)Polarizability: 15.62×10-24 cm3; (16)Surface Tension: 44.6 dyne/cm; (17)Enthalpy of Vaporization: 56.18 kJ/mol; (18)Vapour Pressure: 0.000324 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 193.000905; (21)MonoIsotopic Mass: 193.000905; (22)Topological Polar Surface Area: 68.5; (23)Heavy Atom Count: 12; (24)Complexity: 249.

Uses of 2,5-Difluorobenzenesulphonamide: It is used as important intermediate in organic synthesis, organic solvent and pharmaceutical. It is also used in dye production, pesticide production and spices and so on. In addition, it can react with 7-methoxy-3,4,5,6-tetrahydro-2H-azepine to get N-azepan-2-ylidene-2,5-difluoro-benzenesulfonamide. This reaction needs and solvent propan-2-ol by heating. The yield is 67%.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(c1cc(F)ccc1F)N
2. InChI:InChI=1/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
3. InChIKey:OLMFEUWXDKZGOO-UHFFFAOYAY

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