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CAS No.: | 489-17-8 |
---|---|
Name: | 4-FLUORO-2-METHYL-BENZENESULFONAMIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H8FNO2S |
Molecular Weight: | 189.21 |
Synonyms: | o-Toluenesulfonamide,4-fluoro- (8CI);4-Fluoro-2-methylbenzenesulfonamide;4-Fluoro-2-methylbenzenesulphonamide; |
Density: | 1.362 g/cm3 |
Melting Point: | 180-184 °C(lit.) |
Boiling Point: | 324 °C at 760 mmHg |
Flash Point: | 149.8 °C |
Hazard Symbols: | Xi |
PSA: | 68.54000 |
LogP: | 2.56260 |
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The CAS register number of Benzenesulfonamide,4-fluoro-2-methyl- is 489-17-8. It also can be called as o-Toluenesulfonamide,4-fluoro- (8CI) and the IUPAC name about this chemical is 4-fluoro-2-methylbenzenesulfonamide. The molecular formula about this chemical is C7H8FNO2S and the molecular weight is 189.21. It belongs to the following product categories which include Sulfonamide; Benzene series; Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds and so on. This chemical may cause inflammation to the skin or other mucous membranes. It is irritant.
Physical properties about Benzenesulfonamide,4-fluoro-2-methyl- are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 4.03; (5)ACD/BCF (pH 7.4): 4.03; (6)ACD/KOC (pH 5.5): 94.46; (7)ACD/KOC (pH 7.4): 94.27; (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: 1.545; (13)Molar Refractivity: 43.92 cm3; (14)Molar Volume: 138.8 cm3; (15)Polarizability: 17.41x10-24cm3; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.362 g/cm3; (18)Flash Point: 149.8 °C; (19)Enthalpy of Vaporization: 56.6 kJ/mol; (20)Boiling Point: 324 °C at 760 mmHg; (21)Vapour Pressure: 0.000252 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1c(cc(F)cc1)C)N
(2)InChI: InChI=1/C7H8FNO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
(3)InChIKey: NNYVGGHJPLSSRQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H8FNO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
(5)Std. InChIKey: NNYVGGHJPLSSRQ-UHFFFAOYSA-N