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CAS No.: | 6380-08-1 |
---|---|
Name: | N-(4-AMINOPHENYL)-4-METHYLBENZENESULFONAMIDE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C13H14N2O2S |
Molecular Weight: | 262.332 |
Synonyms: | p-Toluenesulfonanilide,4'-amino- (7CI,8CI);N-(4-Aminophenyl)-4-methylbenzenesulfonamide;N-(4-Aminophenyl)-p-toluenesulfonamide;N-(4'-Aminophenyl)-4-methylbenzenesulfonamide;N-(p-Aminophenyl)-p-toluenesulfonamide; |
Density: | 1.33 g/cm3 |
Melting Point: | 183-185 °C(lit.) |
Boiling Point: | 453.7 °C at 760 mmHg |
Flash Point: | 228.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 80.57000 |
LogP: | 4.11300 |
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The Benzenesulfonamide,N-(4-aminophenyl)-4-methyl-, with the CAS registry number 6380-08-1, is also known as 4'-Amino-p-toluenesulfonanilide. It belongs to the product categories of Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds. This chemical's molecular formula is C13H14N2O2S and molecular weight is 262.33. Its IUPAC name is called N-(4-aminophenyl)-4-methylbenzenesulfonamide.
Physical properties of Benzenesulfonamide,N-(4-aminophenyl)-4-methyl-: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 5.8; (6)ACD/BCF (pH 7.4): 6.28; (7)ACD/KOC (pH 5.5): 119.37; (8)ACD/KOC (pH 7.4): 129.37; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 72.17 cm3; (14)Molar Volume: 197.1 cm3; (15)Surface Tension: 61.3 dyne/cm; (16)Density: 1.33 g/cm3; (17)Flash Point: 228.2 °C; (18)Enthalpy of Vaporization: 71.31 kJ/mol; (19)Boiling Point: 453.7 °C at 760 mmHg; (20)Vapour Pressure: 2.03E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by toluene-4-sulfonic acid-(4-nitro-anilide). This reaction will need reagent 1,1'-dioctyl-4,4'-bipyridinium dibromide and solvent methanol. The reaction time is 10 hours with reaction temperature of 20 °C. The yield is about 96%.
Uses of Benzenesulfonamide,N-(4-aminophenyl)-4-methyl-: it can be used to produce 4-[N-phenethyl-N-(p-toluenesulphonyl)amino]aniline at temperature of 70 °C. This reaction will need reagent NaH and solvent dimethylformamide with reaction time of 2 hours. The yield is about 74.6%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N
(2)InChI: InChI=1S/C13H14N2O2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,14H2,1H3
(3)InChIKey: XKDFMOOUKPSLEM-UHFFFAOYSA-N