The 3-Quinolineboronic acid, with the CAS registry number 191162-39-7, is also known as 3-Quinolinylboronic acid. It belongs to the product categories of Blocks; BoronicAcids; Heterocycles; Boronic Acids & Esters; Quinolines, Isoquinolines & Quinoxalines; Boronic Acid; Organoborons; Quinoline; B (Classes of Boron Compounds); Boronic Acids; Quinolinecarboxylic Acids, etc.; Quinolines; Boronic Acids & Esters; Quinolines, Isoquinolines & Quinoxalines; Boronic Acids; Boronic Acids and Derivatives; Heteroaryl. This chemical's molecular formula is C9H8BNO2 and molecular weight is 172.98. What's more, both its IUPAC name and systematic name are the same which is called Quinolin-3-ylboronic acid. It should be kept in a cold, dry and sealed place.
Physical properties about 3-Quinolineboronic acid are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 6.32; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 123.93; (8)ACD/KOC (pH 7.4): 10.13; (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: 1.644; (14)Molar Refractivity: 48.64 cm3; (15)Molar Volume: 134.2 cm3; (16)Surface Tension: 59.1 dyne/cm; (17)Density: 1.28 g/cm3; (18)Flash Point: 195.9 °C; (19)Enthalpy of Vaporization: 68.66 kJ/mol; (20)Boiling Point: 400.3 °C at 760 mmHg; (21)Vapour Pressure: 3.99E-07 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it's harmful to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1cc2ccccc2nc1
(2) InChI: InChI=1S/C9H8BNO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6,12-13H
(3) InChIKey: YGDICLRMNDWZAK-UHFFFAOYSA-N
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