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3-Quinolineboronic acid

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Name

3-Quinolineboronic acid

EINECS -0
CAS No. 191162-39-7 Density 1.28 g/cm3
PSA 53.35000 LogP -0.08540
Solubility N/A Melting Point 148-155 ºC
Formula C9H8BNO2 Boiling Point 400.3 ºC at 760 mmHg
Molecular Weight 172.979 Flash Point 195.9 ºC
Transport Information N/A Appearance light pink or orange to light brown powder
Safety 36/37/39-26-22 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 191162-39-7 (3-Quinolineboronic acid) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

Boronicacid, 3-quinolinyl- (9CI);(3-Quinolinyl)boronic acid;(3-Quinolyl)boronicacid;Quinolin-3-ylboronic acid;

Article Data 17

3-Quinolineboronic acid Specification

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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