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CAS No.: | 59554-39-1 |
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Name: | 2-METHOXY-4-METHYLBENZENESULFONAMIDE |
Molecular Structure: | |
Formula: | C8H11NO3S |
Molecular Weight: | 201.246 |
Synonyms: | p-Toluenesulfonamide,2-methoxy- (7CI);2-Methoxy-4-methylbenzenesulfonamide; |
Density: | 1.268 g/cm3 |
Melting Point: | 168-169 °C |
Boiling Point: | 374 °C at 760 mmHg |
Flash Point: | 180 °C |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 77.77000 |
LogP: | 2.43210 |
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The CAS registry number of Benzenesulfonamide,2-methoxy-4-methyl- is 59554-39-1. This chemical is also named as p-Toluenesulfonamide,2-methoxy- (7CI). In addition, its molecular formula is C8H11NO3S and molecular weight is 201.24. Its systematic name is called 2-methoxy-4-methylbenzenesulfonamide.
Physical properties about Benzenesulfonamide,2-methoxy-4-methyl- are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 2.01; (6)ACD/BCF (pH 7.4): 2.01; (7)ACD/KOC (pH 5.5): 57.35; (8)ACD/KOC (pH 7.4): 57.25; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 50.17 cm3; (14)Molar Volume: 158.6 cm3; (15)Surface Tension: 44.5 dyne/cm; (16)Density: 1.268 g/cm3; (17)Flash Point: 180 °C; (18)Enthalpy of Vaporization: 62.13 kJ/mol; (19)Boiling Point: 374 °C at 760 mmHg.
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. So do not breathe dust of it. What's more, we should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1OC)C)N
(2)InChI: InChI=1/C8H11NO3S/c1-6-3-4-8(13(9,10)11)7(5-6)12-2/h3-5H,1-2H3,(H2,9,10,11)
(3)InChIKey: GQUFSEOISDLWMN-UHFFFAOYAN