Specification: |
The 4-Bromo-2-chlorobenzenesulfonamide, with cas registry number 351003-59-3, belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfonamides/Sulfinamides; (3)Sulfur Compounds. Its systematic name and IUPAC name are the same one, which is 4-bromo-2-chlorobenzenesulfonamide.
Physical properties about this chemical are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.84; (6)ACD/BCF (pH 7.4): 10.75; (7)ACD/KOC (pH 5.5): 191.59; (8)ACD/KOC (pH 7.4): 189.99; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 51.73 cm3; (15)Molar Volume: 146.5 cm3; (16)Polarizability: 20.51×10-24cm3; (17)Surface Tension: 56.2 dyne/cm; (18)Enthalpy of Vaporization: 64.02 kJ/mol; (19)Vapour Pressure: 2.6E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 4-Bromo-2-chlorobenzenesulfonamide irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1c(Cl)cc(Br)cc1)N
(2)InChI: InChI=1/C6H5BrClNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
(3)InChIKey: BFZLQNCZBMUSRS-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H5BrClNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
(5)Std. InChIKey: BFZLQNCZBMUSRS-UHFFFAOYSA-N
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