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2-Bromopyridine-5-Boronic Acid

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Name

2-Bromopyridine-5-Boronic Acid

EINECS -0
CAS No. 223463-14-7 Density 1.78 g/cm3
PSA 53.35000 LogP -0.47610
Solubility N/A Melting Point 161-166 °C
Formula C5H5BBrNO2 Boiling Point 358.2 °C at 760 mmHg
Molecular Weight 201.815 Flash Point 170.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 223463-14-7 (2-Bromopyridine-5-boronic acid) Hazard Symbols IrritantXi
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;

Article Data 4

2-Bromopyridine-5-Boronic Acid Specification

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

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