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| CAS No.: | 89694-44-0 |
|---|---|
| Name: | 2-BROMO-5-METHOXYPHENYLBORONIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H8BBrO3 |
| Molecular Weight: | 230.854 |
| Synonyms: | Benzeneboronicacid, 2-bromo-5-methoxy- (7CI);Boronic acid, (2-bromo-5-methoxyphenyl)- (9CI);2-Bromo-5-methoxyphenylboronic acid; |
| Density: | 1.61 g/cm3 |
| Melting Point: | 214-216°C |
| Boiling Point: | 376.6 °C at 760 mmHg |
| Flash Point: | 181.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 49.69000 |
| LogP: | 0.13750 |
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- Total:35 Page 1 of 1 1
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Specification
The Boronic acid,B-(2-bromo-5-methoxyphenyl)-, with CAS registry number 89694-44-0, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Bromides. It has the systematic name of (2-bromo-5-methoxy-phenyl)boronic acid. And the chemical formula of this chemical is C7H8BBrO3.
Physical properties of Boronic acid,B-(2-bromo-5-methoxyphenyl)-: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.4; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 49.69 Å2; (9)Index of Refraction: 1.578; (10)Molar Refractivity: 47.37 cm3; (11)Molar Volume: 142.6 cm3; (12)Polarizability: 18.78×10-24cm3; (13)Surface Tension: 51.1 dyne/cm; (14)Enthalpy of Vaporization: 65.85 kJ/mol; (15)Vapour Pressure: 2.43E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1Br)OC)(O)O
(2)InChI: InChI=1/C7H8BBrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
(3)InChIKey: BJQKEDXKQVNQPR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H8BBrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
(5)Std. InChIKey: BJQKEDXKQVNQPR-UHFFFAOYSA-N