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CAS No.: | 223463-14-7 |
---|---|
Name: | 2-Bromopyridine-5-boronic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H5BBrNO2 |
Molecular Weight: | 201.815 |
Synonyms: | Boronicacid, (6-bromo-3-pyridinyl)- (9CI);(2-Bromopyridin-5-yl)boronic acid;(6-Bromopyridin-3-yl)boronic acid;2-Bromopyridine-5-boronic acid;2-bromopyridin-5-ylboronic acid;6-bromopyridin-3-lboronic acid; |
EINECS: | -0 |
Density: | 1.78 g/cm3 |
Melting Point: | 161-166 °C |
Boiling Point: | 358.2 °C at 760 mmHg |
Flash Point: | 170.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 53.35000 |
LogP: | -0.47610 |
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The 2-Bromopyridine-5-Boronic Acid is an organic compound with the formula C5H5BBrNO2. The IUPAC name of this chemical is (6-bromopyridin-3-yl)boronic acid. With the CAS registry number 223463-14-7, it is also named as Boronic acid, B-(6-bromo-3-pyridinyl)-. The product's categories are Blocks; BoronicAcids; Pyridine; Boronic Acids & Esters; Pyridines; Boronic Acids; Boronic acid; Organoborons; B (Classes of Boron Compounds); Bromopyridines; Halopyridines; Boronic Acids & Esters; Boronic Acids; Boronic Acids and Derivatives; Heteroaryl. Besides, it should be stored in a closed cool and well-ventilated place.
Physical properties about 2-Bromopyridine-5-Boronic Acid are: (1)ACD/LogP: 0.90; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): -0.71; (4)ACD/BCF (pH 5.5): 1.89; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 48.9; (7)ACD/KOC (pH 7.4): 1.79; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 31.35 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 38.8 cm3; (14)Molar Volume: 113 cm3; (15)Polarizability: 15.38×10-24cm3; (16)Surface Tension: 62.7 dyne/cm; (17)Density: 1.78 g/cm3; (18)Flash Point: 170.4 °C; (19)Enthalpy of Vaporization: 63.69 kJ/mol; (20)Boiling Point: 358.2 °C at 760 mmHg; (21)Vapour Pressure: 9.42E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ncc(B(O)O)cc1
(2)InChI: InChI=1/C5H5BBrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
(3)InChIKey: BCYWDUVHAPHGIP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H5BBrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
(5)Std. InChIKey: BCYWDUVHAPHGIP-UHFFFAOYSA-N