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CAS No.: | 26460-80-0 |
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Name: | 2,1,3-Benzothiadiazole, 4,5,6,7-tetrabromo- |
Molecular Structure: | |
Formula: | C6Br4N2S |
Molecular Weight: | 451.76 |
Density: | 2.751 g/cm3 |
Boiling Point: | 430.536 °C at 760 mmHg |
Flash Point: | 214.181 °C |
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The CAS registry number of 2,1,3-Benzothiadiazole, 4,5,6,7-tetrabromo- is 26460-80-0. This chemical's molecular formula is C6Br4N2S and molecular weight is 451.76. What's more, its systematic name is called 4,5,6,7-Tetrabromo-2,1,3-benzothiadiazole.
Physical properties about 2,1,3-Benzothiadiazole, 4,5,6,7-tetrabromo- are: (1)ACD/LogP: 4.601; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.60; (4)ACD/LogD (pH 7.4): 4.60; (5)ACD/BCF (pH 5.5): 1848.48; (6)ACD/BCF (pH 7.4): 1848.48; (7)ACD/KOC (pH 5.5): 7585.49; (8)ACD/KOC (pH 7.4): 7585.49; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.788; (14)Molar Refractivity: 69.423 cm3; (15)Molar Volume: 164.215 cm3; (16)Polarizability: 27.521×10-24cm3; (17)Surface Tension: 75.801 dyne/cm; (18)Density: 2.751 g/cm3; (19)Flash Point: 214.181 °C; (20)Enthalpy of Vaporization: 65.95 kJ/mol; (21)Boiling Point: 430.536 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(Br)c(Br)c(Br)c2nsnc12
(2) InChI: InChI=1S/C6Br4N2S/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6
(3) InChIKey: REPQNSVHVUVEJI-UHFFFAOYSA-N