2-Chloroquinoline-3-boronic acid supplier

Name
2-CHLOROQUINOLINE-3-BORONIC ACID
EINECS
CAS No. 128676-84-6
Density 1.428 g/cm³
Solubility
Melting Point 144-147℃
Formula C₉H₇BClNO₂
Boiling Point 426.177 °C at 760 mmHg
Molecular Weight 207.424
Flash Point 211.544 °C
Transport Information
Appearance off-white solid
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (2-chloro-3-quinolinyl)- (9CI);(2-Chloro-3-quinolinyl)boronic acid;(2-Chloroquinolin-3-yl)boronic acid;
PSA 53.35000
LogP 0.56800

2-Chloroquinoline-3-boronic acid Specification

The 2-Chloroquinoline-3-boronic acid, with the CAS registry number 128676-84-6, has the systematic name of (2-chloroquinolin-3-yl)boronic acid. It belongs to the following product categories: Boronic acid; Organoborons; Quinoline. And the molecular formula of the chemical is C₉H₇BClNO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 3.7; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 53.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.35 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 53.47 cm³; (15)Molar Volume: 145.2 cm³; (16)Polarizability: 21.19×10^-24cm³; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 211.5 °C; (20)Enthalpy of Vaporization: 71.78 kJ/mol; (21)Boiling Point: 426.2 °C at 760 mmHg; (22)Vapour Pressure: 5.06E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc2ccccc2cc1B(O)O
(2)InChI: InChI=1/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
(3)InChIKey: JAQXYUOPSOXQCG-UHFFFAOYAV

Product Name

2-CHLOROQUINOLINE-3-BORONIC ACID

2-Chloroquinoline-3-boronic acid Specification

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