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| CAS No.: | 871269-08-8 |
|---|---|
| Name: | 3-BROMO-N-ISOPROPYLBENZENESULPHONAMIDE |
| Molecular Structure: | |
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| Formula: | C9H12BrNO2S |
| Molecular Weight: | 278.17 |
| Synonyms: | N-ISOPROPYL 3-BROMOBENZENESULFONAMIDE;3-BROMO-N-ISOPROPYLBENZENESULPHONAMIDE;3-Bromo-N-isopropylbenzenesulphonamide 98%;N-Isopropyl 3-bromophenylsulfonamide;3-BroMo-N-isopropylbenzenesulfonaMide |
| Density: | 1.467g/cm3 |
| Melting Point: | 52-56 °C |
| Boiling Point: | 359.1 °C at 760 mmHg |
| Flash Point: | 171 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 54.55000 |
| LogP: | 3.60750 |
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Specification
The Benzenesulfonamide,3-bromo-N-(1-methylethyl)-, with CAS registry number 871269-08-8, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Sulfonamides. It has the systematic name of 3-bromo-N-(1-methylethyl)benzenesulfonamide. And the chemical formula of this chemical is C9H12BrNO2S.
Physical properties of Benzenesulfonamide,3-bromo-N-(1-methylethyl)-: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 60.8 cm3; (9)Molar Volume: 189.6 cm3; (10)Polarizability: 24.1×10-24cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.467 g/cm3; (13)Flash Point: 171 °C; (14)Enthalpy of Vaporization: 60.46 kJ/mol; (15)Boiling Point: 359.1 °C at 760 mmHg; (16)Vapour Pressure: 2.44E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Br)ccc1)NC(C)C
(2)InChI: InChI=1/C9H12BrNO2S/c1-7(2)11-14(12,13)9-5-3-4-8(10)6-9/h3-7,11H,1-2H3
(3)InChIKey: YEZCGZSKQXNVDX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H12BrNO2S/c1-7(2)11-14(12,13)9-5-3-4-8(10)6-9/h3-7,11H,1-2H3
(5)Std. InChIKey: YEZCGZSKQXNVDX-UHFFFAOYSA-N