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5-Quinolineboronic acid

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Name

5-Quinolineboronic acid

EINECS -0
CAS No. 355386-94-6 Density 1.28 g/cm3
PSA 53.35000 LogP -0.08540
Solubility N/A Melting Point 144-148 °C
Formula C9H8BNO2 Boiling Point 400.3 °C at 760 mmHg
Molecular Weight 172.979 Flash Point 195.9 °C
Transport Information N/A Appearance N/A
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 355386-94-6 (Quinoline-5-boronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, 5-quinolinyl- (9CI);5-Quinolinylboronic acid;Quinoline-5-boronic acid;

Article Data 4

5-Quinolineboronic acid Specification

The 5-Quinolineboronic acid with cas registry number of 355386-94-6 belongs to the following categories: boronic acid; organoborons; quinoline. Both its systematic name and IUPAC name are the same which is called quinolin-5-ylboronic acid.

The physical properties about this chemical are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 7.06; (6)ACD/BCF (pH 7.4): 1.94; (7)ACD/KOC (pH 5.5): 138.5; (8)ACD/KOC (pH 7.4): 38.03; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.644; (13)Molar Refractivity: 48.64 cm3; (14)Molar Volume: 134.2 cm3; (15)Surface Tension: 59.1 dyne/cm; (16)Density: 1.28 g/cm3; (17)Flash Point: 195.9 °C; (18)Enthalpy of Vaporization: 68.66 kJ/mol; (19)Boiling Point: 400.3 °C at 760 mmHg; (20)Vapour Pressure: 3.99E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cccc2ncccc12;
(2)InChI: InChI=1/C9H8BNO2/c12-10(13)8-4-1-5-9-7(8)3-2-6-11-9/h1-6,12-13H;
(3)InChIKey: NWIJBOCPTGHGIK-UHFFFAOYAZ

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