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125917-60-4

Basic Information
CAS No.: 125917-60-4
Name: (2-CHLORO-3-QUINOLINYL)METHANOL
Article Data: 50
Molecular Structure:
Molecular Structure of 125917-60-4 ((2-CHLORO-3-QUINOLINYL)METHANOL)
Formula: C10H8ClNO
Molecular Weight: 193.633
Synonyms: (2-Chloro-3-quinolinyl)methanol;2-Chloro-3-(hydroxymethyl)quinoline;
Density: 1.358 g/cm3
Melting Point: 160 °C
Boiling Point: 354.7 °C at 760 mmHg
Flash Point: 168.3 °C
Hazard Symbols: Xn
Risk Codes: 22-41
Safety: 26-39
PSA: 33.12000
LogP: 2.38050
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Specification

The 3-Quinolinemethanol, 2-chloro-, with the CAS registry number of 125917-60-4, is also known as (2-Chloro-3-quinolinyl)methanol. This chemical's molecular formula is C10H8ClNO and molecular weight is 193.63. What's more, its systematic name is called (2-Chloroquinolin-3-yl)methanol.

Physical properties about 3-Quinolinemethanol, 2-chloro- are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 22.12 Å2; (7)Index of Refraction: 1.674; (8)Molar Refractivity: 53.53 cm3; (9)Molar Volume: 142.5 cm3; (10)Surface Tension: 58.7 dyne/cm; (11)Density: 1.358 g/cm3; (12)Flash Point: 168.3 °C; (13)Enthalpy of Vaporization: 63.29 kJ/mol; (14)Boiling Point: 354.7 °C at 760 mmHg; (15)Vapour Pressure: 1.21E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc2ccccc2cc1CO
(2) InChI: InChI=1/C10H8ClNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-5,13H,6H2
(3) InChIKey: XLSKEUSDSZNPLA-UHFFFAOYAU