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CAS No.: | 153435-80-4 |
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Name: | 3-BROMO,N, N-DIMETHYLBENZENESULFONAMIDE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H10BrNO2S |
Molecular Weight: | 264.143 |
Synonyms: | 3-Bromo-N,N-dimethylbenzenesulfonamide;N,N-Dimethyl 3-bromobenzenesulfonamide; |
Density: | 1.543 g/cm3 |
Melting Point: | 74-78 °C |
Boiling Point: | 340.3 °C at 760 mmHg |
Flash Point: | 159.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 45.76000 |
LogP: | 2.78020 |
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The Benzenesulfonamide,3-bromo-N,N-dimethyl-, with the CAS registry number 153435-80-4, is also known as ZINC04208973. It belongs to the product categories of Blocks; Bromides; Sulfonamides; Aryl; Organohalides; Sulfonamide. This chemical's molecular formula is C8H10BrNO2S and molecular weight is 264.1395. Its IUPAC name is called 3-bromo-N,N-dimethylbenzenesulfonamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzenesulfonamide,3-bromo-N,N-dimethyl-: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 2.49; (3)ACD/LogD (pH 7.4): 2.49; (4)ACD/BCF (pH 5.5): 46.02; (5)ACD/BCF (pH 7.4): 46.02; (6)ACD/KOC (pH 5.5): 539.45; (7)ACD/KOC (pH 7.4): 539.45; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.573; (11)Molar Refractivity: 56.42 cm3; (12)Molar Volume: 171.1 cm3; (13)Surface Tension: 43.9 dyne/cm; (14)Density: 1.543 g/cm3; (15)Flash Point: 159.6 °C; (16)Enthalpy of Vaporization: 58.39 kJ/mol; (17)Boiling Point: 340.3 °C at 760 mmHg; (18)Vapour Pressure: 8.66E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by dimethylamine and 3-bromo-benzenesulfonyl chloride. This reaction is a kind of Substitution. It will need solvent tetrahydrofuran. The reaction temperature is 20 °C. The yield is about 96%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)S(=O)(=O)C1=CC(=CC=C1)Br
(2)InChI: InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3
(3)InChIKey: RHBJVOGENJVLGT-UHFFFAOYSA-N