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CAS No.: | 5183-78-8 |
---|---|
Name: | N-METHYLBENZENESULFONAMIDE |
Article Data: | 56 |
Molecular Structure: | |
Formula: | C7H9NO2S |
Molecular Weight: | 171.22 |
Synonyms: | DellatolMMA;N-Methylbenzenesulfonamide;N-Methylphenylsulfonamide;NSC 15404;N-(Phenylsulfonyl)methanamine;methyl(phenylsulfonyl)amine; |
EINECS: | 225-965-7 |
Density: | 1.222 g/cm3 |
Melting Point: | 31 °C |
Boiling Point: | 284 °C at 760 mmHg |
Flash Point: | 125.6 °C |
Solubility: | It is soluble in water. |
Safety: | 22-24/25 |
PSA: | 54.55000 |
LogP: | 2.06640 |
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The Benzenesulfonamide,N-methyl-, with the CAS registry number 5183-78-8 and EINECS registry number 225-965-7, has the systematic name of N-methylbenzenesulfonamide. And the molecular formula of the chemical is C7H9NO2S. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Benzenesulfonamide,N-methyl- are as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.23; (6)ACD/BCF (pH 7.4): 3.23; (7)ACD/KOC (pH 5.5): 80.53; (8)ACD/KOC (pH 7.4): 80.52; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 43.84 cm3; (15)Molar Volume: 140 cm3; (16)Polarizability: 17.38×10-24cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 125.6 °C; (20)Enthalpy of Vaporization: 52.3 kJ/mol; (21)Boiling Point: 284 °C at 760 mmHg; (22)Vapour Pressure: 0.00305 mmHg at 25°C.
Preparation of Benzenesulfonamide,N-methyl-: This chemical can be prepared by benzenesulfonyl chloride and methylamine. The reaction will need reagent H2O. The reaction time is 15 minutes with heating, and the yield is about 93%.
Uses of Benzenesulfonamide,N-methyl-: It can react with benzotriazol-1-yl-methanol to produce N-benzotriazol-1-ylmethyl-N-methyl-benzenesulfonamide. This reaction will need reagent p-toluenesulfonic acid, and the menstruum toluene. The reaction time is 16 hours with heating, and the yield is about 94%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(NC)c1ccccc1
(2)InChI: InChI=1/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3
(3)InChIKey: SVDVKEBISAOWJT-UHFFFAOYAD