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| CAS No.: | 90944-62-0 |
|---|---|
| Name: | 4-BROMO-N,N-DIETHYLBENZENESULPHONAMIDE |
| Molecular Structure: | |
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| Formula: | C10H14BrNO2S |
| Molecular Weight: | 292.197 |
| Synonyms: | Benzenesulfonamide,p-bromo-N,N-diethyl- (7CI);4-Bromo-N,N-diethylbenzenesulfonamide;N,N-Diethyl-4-bromobenzenesulfonamide;NSC 406137; |
| Density: | 1.431g/cm3 |
| Boiling Point: | 356.4 °C at 760 mmHg |
| Flash Point: | 169.3 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 45.76000 |
| LogP: | 3.56040 |
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Specification
The Benzenesulfonamide,4-bromo-N,N-diethyl-, with CAS registry number 90944-62-0, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Sulfonamides. It has the systematic name of 4-bromo-N,N-diethylbenzenesulfonamide. This chemical formula of this chemical is C10H14BrNO2S.
Physical properties of Benzenesulfonamide,4-bromo-N,N-diethyl-: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 65.69 cm3; (9)Molar Volume: 204.1 cm3; (10)Polarizability: 26.04×10-24cm3; (11)Surface Tension: 42.3 dyne/cm; (12)Enthalpy of Vaporization: 60.16 kJ/mol; (13)Vapour Pressure: 2.93E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Br)cc1)N(CC)CC
(2)InChI: InChI=1/C10H14BrNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
(3)InChIKey: NRGTZJXYAAGKQJ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H14BrNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: NRGTZJXYAAGKQJ-UHFFFAOYSA-N