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CAS No.: | 98192-14-4 |
---|---|
Name: | 2-Bromo-N-methylbenzenesulphonamide |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C7H8BrNO2S |
Molecular Weight: | 250.116 |
Synonyms: | 2-Bromo-N-methylbenzenesulfonamide; |
Density: | 1.601 g/cm3 |
Boiling Point: | 341.9 °C at 760mmHg |
Flash Point: | 160.6 °C |
Hazard Symbols: | Xi |
PSA: | 54.55000 |
LogP: | 2.82890 |
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The Benzenesulfonamide,2-bromo-N-methyl- is an organic compound with the formula C7H8BrNO2S. The systematic name of this chemical is 2-bromo-N-methylbenzenesulfonamide. With the CAS registry number 98192-14-4, it is also named as N-Methyl 2-bromobenzenesulphonamide. The product's categories are Blocks; Bromides; Sulfonamides.
The other characteristics of Benzenesulfonamide,2-bromo-N-methyl- can be summarized as: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.574; (8)Molar Refractivity: 51.56 cm3; (9)Molar Volume: 156.2 cm3; (10)Polarizability: 20.44×10-24 cm3; (11)Surface Tension: 44.1 dyne/cm; (12)Density: 1.601 g/cm3; (13)Flash Point: 160.6 °C; (14)Enthalpy of Vaporization: 58.56 kJ/mol; (15)Boiling Point: 341.9 °C at 760 mmHg; (16)Vapour Pressure: 7.8E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(c1ccccc1Br)NC
2. InChI:InChI=1/C7H8BrNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
3. InChIKey:HSCKMNXETNFFAJ-UHFFFAOYAF
4. Std. InChI:InChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
5. Std. InChIKey:HSCKMNXETNFFAJ-UHFFFAOYSA-N