| Identification | |
| Name: | Boronic acid,B-(2-chloro-3-quinolinyl)- |
| Synonyms: | Boronicacid, (2-chloro-3-quinolinyl)- (9CI);(2-Chloro-3-quinolinyl)boronic acid;(2-Chloroquinolin-3-yl)boronic acid; |
| CAS: | 128676-84-6 |
| Molecular Formula: | C9H7BClNO2 |
| Molecular Weight: | 207.42 |
| InChI: | InChI=1/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.42 g/cm3 |
| Refractive index: | 1.657 |
| Appearance: | off-white solid |
| 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: |
| Safety Data | |
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