2-Bromo-N,N-dimethylbenzenesulfonamide supplier

Name
2-Bromo-N,N-dimethylbenzenesulphonamide
EINECS
CAS No. 65000-13-7
Article Data5
CAS DataBase
Density 1.543 g/cm³
Solubility
Melting Point
Formula C₈H₁₀BrNO₂S
Boiling Point 339.4 °C at 760 mmHg
Molecular Weight 264.143
Flash Point 159 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Bromo-N,N-dimethylbenzenesulfonamide;N,N-Dimethyl 2-bromobenzenesulfonamide;
PSA 45.76000
LogP 2.78020

2-Bromo-N,N-dimethylbenzenesulfonamide Specification

The systematic name of 2-Bromo-N,N-dimethylbenzenesulfonamide is 2-bromo-N,N-dimethylbenzenesulfonamide. With the CAS registry number 65000-13-7, it is also named as Benzenesulfonamide,2-bromo-N,N-dimethyl-. The product's categories are Blocks; Bromides; Sulfonamides; Aryl; Organohalides; Sulfonamide. In addition, its molecular formula is C₈H₁₀BrNO₂S and its molecular weight is 264.1395.

The other characteristics of 2-Bromo-N,N-dimethylbenzenesulfonamide can be summarized as: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.82; (6)ACD/BCF (pH 7.4): 15.82; (7)ACD/KOC (pH 5.5): 251.25; (8)ACD/KOC (pH 7.4): 251.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 56.42 cm³; (15)Molar Volume: 171.1 cm³; (16)Polarizability: 22.37×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.543 g/cm³; (19)Flash Point: 159 °C; (20)Enthalpy of Vaporization: 58.28 kJ/mol; (21)Boiling Point: 339.4 °C at 760 mmHg; (22)Vapour Pressure: 9.24E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(c1ccccc1Br)N(C)C
(2)InChI: InChI=1/C8H10BrNO2S/c1-10(2)13(11,12)8-6-4-3-5-7(8)9/h3-6H,1-2H3
(3)InChIKey: OGYMDBJRCOBHEY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-6-4-3-5-7(8)9/h3-6H,1-2H3
(5)Std. InChIKey: OGYMDBJRCOBHEY-UHFFFAOYSA-N

Product Name

2-Bromo-N,N-dimethylbenzenesulphonamide

2-Bromo-N,N-dimethylbenzenesulfonamide Specification

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