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849532-31-6

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Basic Information
CAS No.: 849532-31-6
Name: 4-Bromo-N,N,3-trimethylbenzenesulphonamide
Molecular Structure:
Molecular Structure of 849532-31-6 (4-Bromo-N,N,3-trimethylbenzenesulphonamide)
Formula: C9H12BrNO2S
Molecular Weight: 278.17
Synonyms: N,N-Dimethyl 4-bromo-3-methylbenzenesulphonamide;
Density: 1.484 g/cm3
Boiling Point: 351.438 °C at 760 mmHg
Flash Point: 166.344 °C
Hazard Symbols: IrritantXi
PSA: 45.76000
LogP: 3.08860
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Specification

The Benzenesulfonamide,4-bromo-N,N,3-trimethyl-, with the CAS registry number 849532-31-6, is also known as N,N-Dimethyl 4-bromo-3-methylbenzenesulphonamide. It belongs to the product categories of Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C9H12BrNO2S and molecular weight is 278.16608. What's more, its systematic name is called 4-Bromo-N,N,3-trimethylbenzenesulfonamide. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenesulfonamide,4-bromo-N,N,3-trimethyl- are: (1) ACD/LogP: 2.99; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 45.76 Å2; (7) Index of Refraction: 1.565; (8) Molar Refractivity: 61.053 cm3; (9) Molar Volume: 187.431 cm3; (10) Surface Tension: 42.675 dyne/cm; (11) Density: 1.484 g/cm3; (12) Flash Point: 166.344 °C; (13) Enthalpy of Vaporization: 59.614 kJ/mol; (14) Boiling Point: 351.438 °C at 760 mmHg; (15) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1C)S(=O)(=O)N(C)C
(2) InChI: InChI=1/C9H12BrNO2S/c1-7-6-8(4-5-9(7)10)14(12,13)11(2)3/h4-6H,1-3H3
(3) InChIKey: IWCXIBTWBKTRRB-UHFFFAOYAH