-
Name
2-BROMOPYRIDIN-3-YLBORONIC ACID
- EINECS 1312995-182-4
- CAS No. 452972-08-6
- Article Data2
- CAS DataBase
- Density 1.78 g/cm3
- Solubility
- Melting Point 132 °C(dec.)
- Formula C5H5BBrNO2
- Boiling Point 374.311 °C at 760 mmHg
- Molecular Weight 201.815
- Flash Point 180.177 °C
- Transport Information
- Appearance
- Safety 26-36
-
Risk Codes
Xi:Irritant;
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms (2-Bromo-3-pyridyl)boronicacid;Dihydroxy(2-bromo-3-pyridyl)borane;Boronic acid,(2-bromo-3-pyridinyl)- (9CI);
- PSA 53.35000
- LogP -0.47610
2-Bromopyridine-3-boronic acid Specification
The Boronic acid,(2-bromo-3-pyridinyl)-, with the CAS registry number 452972-08-6, is also known as Dihydroxy(2-bromo-3-pyridyl)borane. It belongs to the product categories of Boronic Acid; Blocks; Boronic Acids; Bromides; Pyridines; Boronic Acids & Esters; Organoborons; Pyridine; Boronic Acids & Esters. This chemical's molecular formula is C5H5BBrNO2 and molecular weight is 201.81. What's more, its systematic name is (2-bromopyridin-3-yl)boronic acid. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as an organic reagent and a pharmaceutical intermediate.
Physical properties of Boronic acid,(2-bromo-3-pyridinyl)- are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 48; (7)ACD/KOC (pH 7.4): 2; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 38.808 cm3; (14)Molar Volume: 113.077 cm3; (15)Polarizability: 15.385×10-24cm3; (16)Surface Tension: 62.799 dyne/cm; (17)Density: 1.785 g/cm3; (18)Flash Point: 180.177 °C; (19)Enthalpy of Vaporization: 65.584 kJ/mol; (20)Boiling Point: 374.311 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cccnc1Br
(2)Std. InChI: InChI=1S/C5H5BBrNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H
(3)Std. InChIKey: ODWRFKJNUJLAHM-UHFFFAOYSA-N
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