3-Chloro-4-pyridineboronic acid hydrate supplier

Name
3-Chloro-4-pyridineboronic acid hydrate
EINECS
CAS No. 458532-98-4
Article Data1
CAS DataBase
Density 1.41 g/cm³
Solubility Slightly soluble in water.
Melting Point 95-97 °C
Formula C₅H₅BClNO₂
Boiling Point 329.6 °C at 760 mmHg
Molecular Weight 157.364
Flash Point 153.2 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41-22
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (3-chloro-4-pyridinyl)- (9CI);(3-Chloro-4-pyridine)boronic acid;(3-Chloro-4-pyridinyl)boronic acid;(3-Chloro-4-pyridyl)boronic acid;(3-Chloropyridin-4-yl)boronic acid;
PSA 53.35000
LogP -0.58520

3-Chloro-4-pyridineboronic acid hydrate Specification

The Boronic acid,B-(3-chloro-4-pyridinyl)-, with the CAS registry number 458532-98-4, has the the systematic name and IUPAC name of (3-chloropyridin-4-yl)boronic acid. It belongs to the following product categories: Boronic Acid; Blocks; BoronicAcids; Pyridines; Boronic Acids & Esters; Boronic acid; Organoborons; Pyridine; Boronic Acids & Esters. And the molecular formula of the chemical is C₅H₅BClNO₂.

The characteristics of Boronic acid,B-(3-chloro-4-pyridinyl)- are as followings: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 31.35 Å²; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 35.91 cm³; (9)Molar Volume: 111.1 cm³; (10)Polarizability: 14.23×10^-24cm³; (11)Surface Tension: 56.1 dyne/cm; (12)Density: 1.41 g/cm³; (13)Flash Point: 153.2 °C; (14)Enthalpy of Vaporization: 60.39 kJ/mol; (15)Boiling Point: 329.6 °C at 760 mmHg; (16)Vapour Pressure: 7.04E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(B(O)O)ccnc1
(2)InChI: InChI=1/C5H5BClNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H
(3)InChIKey: JLIHQPWLAOYTRH-UHFFFAOYAR

Product Name

3-Chloro-4-pyridineboronic acid hydrate

3-Chloro-4-pyridineboronic acid hydrate Specification

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