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| CAS No.: | 424818-25-7 |
|---|---|
| Name: | N-T-BUTYL 3-NITROBENZENESULFONAMIDE |
| Molecular Structure: | |
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| Formula: | C10H14N2O4S |
| Molecular Weight: | 258.29 |
| Synonyms: | N-T-BUTYL 3-NITROBENZENESULFONAMIDE;N-tert-butyl-3-nitrobenzenesulfonamide;3-Nitro-N-(tert-butyl)benzenesulfonaMide;BenzenesulfonaMide, N-(1,1-diMethylethyl)-3-nitro-;BenzenesulfonaMide, 3-nitro-, 1,1-diMethylethyl ester |
| EINECS: | 200-258-5 |
| Density: | 1.282 g/cm3 |
| Boiling Point: | 385.7 °C at 760 mmHg |
| Flash Point: | 187.1 °C |
| PSA: | 100.37000 |
| LogP: | 3.66650 |
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Specification
This chemical is called N-(tert-Butyl)-3-nitrobenzenesulfonamide, and it can also be named as benzenesulfonamide, N-(1,1-dimethylethyl)-3-nitro-. With the molecular formula of C10H14N2O4S, its molecular weight is 258.29. The CAS registry number of this chemical is 424818-25-7, and its product categories are Blocks; NitroCompounds; Sulfonamides.
Other characteristics of the N-(tert-Butyl)-3-nitrobenzenesulfonamide can be summarised as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 91.58 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 63.78 cm3; (9)Molar Volume: 201.4 cm3; (10)Polarizability: 25.28×10-24cm3; (11)Surface Tension: 46.1 dyne/cm; (12)Density: 1.282 g/cm3; (13)Flash Point: 187.1 °C; (14)Enthalpy of Vaporization: 63.46 kJ/mol; (15)Boiling Point: 385.7 °C at 760 mmHg; (16)Vapour Pressure: 3.72E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(NC(C)(C)C)c1cc([N+]([O-])=O)ccc1
2.InChI: InChI=1/C10H14N2O4S/c1-10(2,3)11-17(15,16)9-6-4-5-8(7-9)12(13)14/h4-7,11H,1-3H3
3.InChIKey: UHFXZEXYBBMXBY-UHFFFAOYAS