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CAS No.: | 1524-40-9 |
---|---|
Name: | 3-Fluorobenzenesulfonamide |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H6FNO2S |
Molecular Weight: | 175.184 |
Synonyms: | Benzenesulfonamide, 3-fluoro-;3-Fbsa; |
Density: | 1.428 g/cm3 |
Melting Point: | 124.5-128.5 °C(lit.) |
Boiling Point: | 320.5 °C at 760 mmHg |
Flash Point: | 147.6 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | T,Xi |
Risk Codes: | 23/24/25-36/37/38 |
Safety: | 26-36-45 |
PSA: | 68.54000 |
LogP: | 2.25420 |
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The 3-Fluorobenzenesulfonamide is an organic compound with the formula C6H6FNO2S. The IUPAC name of this chemical is 3-fluorobenzenesulfonamide. With the CAS registry number 1524-40-9, it is also named as Benzenesulfonamide, 3-fluoro-. The product's categories are Sulfonamide; Phenyls & Phenyl-Het; Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds. Besides, it should be stored in a dark dry and well-ventilated place.
Physical properties about 3-Fluorobenzenesulfonamide are: (1)ACD/LogP: 0.75; (2)ACD/LogD (pH 5.5): 0.75; (3)ACD/LogD (pH 7.4): 0.75; (4)ACD/BCF (pH 5.5): 2.17; (5)ACD/BCF (pH 7.4): 2.17; (6)ACD/KOC (pH 5.5): 60.69; (7)ACD/KOC (pH 7.4): 60.49; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.76 Å2; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 39.3 cm3; (14)Molar Volume: 122.5 cm3; (15)Polarizability: 15.58×10-24cm3; (16)Surface Tension: 46.6 dyne/cm; (17)Density: 1.428 g/cm3; (18)Flash Point: 147.6 °C; (19)Enthalpy of Vaporization: 56.22 kJ/mol; (20)Boiling Point: 320.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000316 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(F)ccc1)N
(2)InChI: InChI=1/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
(3)InChIKey: CRINBBOGNYCAOV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
(5)Std. InChIKey: CRINBBOGNYCAOV-UHFFFAOYSA-N