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CAS No.: | 911111-96-1 |
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Name: | 3-BROMO-N-(2-HYDROXYETHYL)BENZENESULPHONAMIDE 97 |
Molecular Structure: | |
Formula: | C8H10BrNO3S |
Molecular Weight: | 280.142 |
Synonyms: | 3-BROMO-N-(2-HYDROXYETHYL)BENZENESULPHONAMIDE 97;3-Bromo-N-(2-hydroxyethyl)benzenesulphonamide 97% |
Density: | 1.645 g/cm3 |
Melting Point: | 67-69 °C |
Boiling Point: | 426.3 °C at 760 mmHg |
Flash Point: | 211.6 °C |
Hazard Symbols: | Xi |
PSA: | 74.78000 |
LogP: | 2.19140 |
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This chemical is called Benzenesulfonamide, 3-bromo-N-(2-hydroxyethyl)-, and its CAS registry number is 911111-96-1. With the molecular formula of C8H10BrNO3S, its molecular weight is 280.14. Additionally, its product categories are Blocks; Bromides; Sulfonamides.
Other characteristics of the Benzenesulfonamide, 3-bromo-N-(2-hydroxyethyl)- can be summarised as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.48; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 74.78 Å2; (9)Index of Refraction: 1.593; (10)Molar Refractivity: 57.73 cm3; (11)Molar Volume: 170.2 cm3; (12)Polarizability: 22.88×10-24cm3; (13)Surface Tension: 53.2 dyne/cm; (14)Density: 1.645 g/cm3; (15)Flash Point: 211.6 °C; (16)Enthalpy of Vaporization: 71.8 kJ/mol; (17)Boiling Point: 426.3 °C at 760 mmHg; (18)Vapour Pressure: 5.01E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(cc(c1)Br)S(=O)(=O)NCCO
2.InChI: InChI=1/C8H10BrNO3S/c9-7-2-1-3-8(6-7)14(12,13)10-4-5-11/h1-3,6,10-11H,4-5H2
3.InChIKey: QRDZBHKLJOEWGW-UHFFFAOYAC