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CAS No.: | 89677-46-3 |
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Name: | (2,4-DIBROMO-5-METHOXY)BENZENEBORONIC ACID |
Molecular Structure: | |
Formula: | C7H7BBr2O3 |
Molecular Weight: | 309.75 |
Synonyms: | 2,4-Dibromo-5-methoxybenzeneboronic acid; |
Density: | 1.99 g/cm3 |
Melting Point: | 300 °C |
Boiling Point: | 405.4 °C at 760 mmHg |
Flash Point: | 199 °C |
Hazard Symbols: | Xi |
PSA: | 49.69000 |
LogP: | 0.90000 |
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The Benzeneboronic acid,2,4-dibromo-5-methoxy- (7CI), with the CAS registry number 89677-46-3, is also known as 2,4-Dibromo-5-methoxybenzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Bromides. This chemical's molecular formula is C7H7BBr2O3 and molecular weight is 309.7477. Its IUPAC name is called (2,4-Dibromo-5-methoxy-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,2,4-dibromo-5-methoxy- (7CI): (1)ACD/LogP: 3.06; (2)ACD/LogD (pH 5.5): 3.06; (3)ACD/LogD (pH 7.4): 2.83; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Index of Refraction: 1.626; (8)Molar Refractivity: 55.09 cm3; (9)Molar Volume: 155.6 cm3; (10)Surface Tension: 59.6 dyne/cm; (11)Density: 1.99 g/cm3; (12)Flash Point: 199 °C; (13)Enthalpy of Vaporization: 69.28 kJ/mol; (14)Boiling Point: 405.4 °C at 760 mmHg; (15)Vapour Pressure: 2.67E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(c(cc1Br)Br)OC)(O)O
(2)InChI: InChI=1/C7H7BBr2O3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3,11-12H,1H3
(3)InChIKey: GOAYGALQWXVCFY-UHFFFAOYAX