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2-Chloro-4-pyridylboronic acid

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Name

2-Chloro-4-pyridylboronic acid

EINECS 628-060-9
CAS No. 458532-96-2 Density 1.41 g/cm3
PSA 53.35000 LogP -0.58520
Solubility N/A Melting Point 155-163 °C
Formula C5H5BClNO2 Boiling Point 355.186 °C at 760 mmHg
Molecular Weight 157.364 Flash Point 168.611 °C
Transport Information N/A Appearance WHITE TO TAN POWDER
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 458532-96-2 (2-Chloro-4-pyridylboronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (2-chloro-4-pyridinyl)- (9CI);(2-Chloropyridin-4-yl)boronic acid;2-Chloropyridine-4-boronic acid;

Article Data 2

2-Chloro-4-pyridylboronic acid Specification

The 2-Chloropyridine-4-boronic acid is an organic compound with the formula C5H5BClNO2. The IUPAC name of this chemical is (2-chloropyridin-4-yl)boronic acid. With the CAS registry number 458532-96-2, it is also named as Boronic acid, B-(2-chloro-4-pyridinyl)-. The product's categories are Boronicacid; Blocks; BoronicAcids; Pyridines; Boronic Acids; Boronic Acid; Organoborons; Pyridine; Boronic Acids; Boronic Acids and Derivatives; Heteroaryl; Boric Acid Series. Besides, it should be stored in a closed and cool place at temperature of 2 - 8 °C.

Physical properties about 2-Chloropyridine-4-boronic acid are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): 0.574; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1.555; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 45.847; (7)ACD/KOC (pH 7.4): 4.022; (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: 1.559; (13)Molar Refractivity: 35.914 cm3; (14)Molar Volume: 111.184 cm3; (15)Polarizability: 14.238×10-24cm3; (16)Surface Tension: 56.179 dyne/cm; (17)Density: 1.415 g/cm3; (18)Flash Point: 168.611 °C; (19)Enthalpy of Vaporization: 63.345 kJ/mol; (20)Boiling Point: 355.186 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. 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: B(c1ccnc(c1)Cl)(O)O
(2)InChI: InChI=1/C5H5BClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
(3)InChIKey: WJYRVVDXJMJLTN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H5BClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
(5)Std. InChIKey: WJYRVVDXJMJLTN-UHFFFAOYSA-N

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