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| CAS No.: | 850429-67-3 |
|---|---|
| Name: | N-BENZYL 3-BROMO-4-METHYLBENZENESULFONAMIDE |
| Molecular Structure: | |
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| Formula: | C14H14BrNO2S |
| Molecular Weight: | 340.241 |
| Synonyms: | N-Benzyl-3-bromo-4-methylbenzenesulfonamide;N-Benzyl-N-3-bromo-4-methylbenzenesulphonamide; |
| Density: | 1.459 g/cm3 |
| Melting Point: | 98-101 °C |
| Boiling Point: | 465.1 °C at 760 mmHg |
| Flash Point: | 235.1 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 54.55000 |
| LogP: | 4.70770 |
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Specification
The Benzenesulfonamide,3-bromo-4-methyl-N-(phenylmethyl)-, with the CAS registry number 850429-67-3, is also known as N-Benzyl-N-3-bromo-4-methylbenzenesulphonamide. It belongs to the product categories of Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C14H14BrNO2S and molecular weight is 340.24. What's more, its systematic name is N-benzyl-3-bromo-4-methylbenzenesulfonamide.
Physical properties of Benzenesulfonamide,3-bromo-4-methyl-N-(phenylmethyl)- are: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.61; (8)Molar Refractivity: 80.9 cm3; (9)Molar Volume: 233.1 cm3; (10)Polarizability: 32.07×10-24cm3; (11)Surface Tension: 48.3 dyne/cm; (12)Density: 1.459 g/cm3; (13)Flash Point: 235.1 °C; (14)Enthalpy of Vaporization: 72.67 kJ/mol; (15)Boiling Point: 465.1 °C at 760 mmHg; (16)Vapour Pressure: 7.89E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)Br
(2)InChI: InChI=1S/C14H14BrNO2S/c1-11-7-8-13(9-14(11)15)19(17,18)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
(3)InChIKey: UDIVRJRBNLDWNI-UHFFFAOYSA-N