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- Benzenesulfonic acid, 3-bromo-2,4-dimethyl-
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| Name |
Benzenesulfonic acid, 3-bromo-2,4-dimethyl- |
EINECS | N/A |
| CAS No. | 5471-25-0 | Density | 1.647 g/cm3 |
| PSA | 62.75000 | LogP | 3.39340 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H9BrO3S | Boiling Point | N/A |
| Molecular Weight | 265.1243 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC26046; |
Benzenesulfonic acid, 3-bromo-2,4-dimethyl- Specification
The CAS registry number of Benzenesulfonic acid, 3-bromo-2,4-dimethyl- is 5471-25-0. Its molecular formula is C8H9BrO3S and molecular weight is 265.1243. Its systematic name is called 3-bromo-2,4-dimethylbenzenesulfonic acid.
Physical properties about Benzenesulfonic acid, 3-bromo-2,4-dimethyl- are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.586; (7)Molar Refractivity: 54.06 cm3; (8)Molar Volume: 160.9 cm3; (9)Surface Tension: 49.9 dyne/cm; (10)Density: 1.647 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(ccc1C)S(=O)(=O)O)C
(2)InChI: InChI=1/C8H9BrO3S/c1-5-3-4-7(13(10,11)12)6(2)8(5)9/h3-4H,1-2H3,(H,10,11,12)
(3)InChIKey: RPSGCFRLOUNJIH-UHFFFAOYAN
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