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Benzeneboronic acid,5-bromo-2-hydroxy- (6CI,7CI)

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Name

Benzeneboronic acid,5-bromo-2-hydroxy- (6CI,7CI)

EINECS N/A
CAS No. 89598-97-0 Density 1.84 g/cm3
PSA 60.69000 LogP -0.16550
Solubility N/A Melting Point 196-200 °C
Formula C6H6BBrO3 Boiling Point 378.3 °C at 760 mmHg
Molecular Weight 216.827 Flash Point 182.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 89598-97-0 ((5-BROMO-2-HYDROXY)BENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

5-Bromo-2-hydroxybenzeneboronic acid 97%;

 

Benzeneboronic acid,5-bromo-2-hydroxy- (6CI,7CI) 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

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