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| CAS No.: | 89598-97-0 |
|---|---|
| Name: | (5-BROMO-2-HYDROXY)BENZENEBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C6H6BBrO3 |
| Molecular Weight: | 216.827 |
| Synonyms: | 5-Bromo-2-hydroxybenzeneboronic acid 97%; |
| Density: | 1.84 g/cm3 |
| Melting Point: | 196-200 °C |
| Boiling Point: | 378.3 °C at 760 mmHg |
| Flash Point: | 182.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 60.69000 |
| LogP: | -0.16550 |
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- Total:29 Page 1 of 1 1
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Specification
The Benzeneboronic acid,5-bromo-2-hydroxy- (6CI,7CI), with the CAS registry number 89598-97-0, is also known as 5-Bromo-2-hydroxybenzeneboronic acid 97%. It belongs to the product categories of Blocks; Boronic Acids; Bromides. This chemical's molecular formula is C6H6BBrO3 and molecular weight is 216.825. Its systematic name is called (5-bromo-2-hydroxy-phenyl)boronic acid. 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 Benzeneboronic acid,5-bromo-2-hydroxy- (6CI,7CI): (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): 1.86; (3)ACD/LogD (pH 7.4): 1.73; (4)#H bond acceptors: 3; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 4; (7)Index of Refraction: 1.644; (8)Molar Refractivity: 42.53 cm3; (9)Molar Volume: 117.4 cm3; (10)Surface Tension: 68.6 dyne/cm; (11)Density: 1.84 g/cm3; (12)Flash Point: 182.6 °C; (13)Enthalpy of Vaporization: 66.05 kJ/mol; (14)Boiling Point: 378.3 °C at 760 mmHg; (15)Vapour Pressure: 2.14E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1O)Br)(O)O
(2)InChI: InChI=1/C6H6BBrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
(3)InChIKey: XSXTWLOHAGPBNO-UHFFFAOYAF