Name: 4-Chloro-3-quinolinecarboxaldehyde
SKU: 201420-30-6

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Basic Information

Molecular Structure:
CAS No.:	201420-30-6
Name:	4-Chloro-3-quinolinecarboxaldehyde
Article Data:	15

Formula:	C₁₀H₆ClNO
Molecular Weight:	191.617
Synonyms:	3-Quinolinecarboxaldehyde, 4-chloro-;
Density:	1.364 g/cm³
Melting Point:	162 °C(Solv: benzene (71-43-2))
Boiling Point:	324.2 °C at 760 mmHg
Flash Point:	149.9 °C
PSA:	29.96000
LogP:	2.70070

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Specification

The 4-Chloro-3-quinolinecarboxaldehyde, with the CAS registry number of 201420-30-6, is also known as 3-Quinolinecarboxaldehyde, 4-chloro-. Its molecular formula is C₁₀H₆ClNO and molecular weight is 191.616. What's more, its systematic name is 4-Chloroquinoline-3-carbaldehyde.

Physical properties about the 4-Chloro-3-quinolinecarboxaldehyde are: (1)ACD/LogP: 2.72 # of Rule of 5 Violations: 0; (2)ACD/LogD (pH 5.5): 2.72; (3)ACD/LogD (pH 7.4): 2.72; (4)ACD/BCF (pH 5.5): 68.2; (5)ACD/BCF (pH 7.4): 68.22; (6)ACD/KOC (pH 5.5): 714.82; (7)ACD/KOC (pH 7.4): 715.01; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.96 Å²; (12)Index of Refraction: 1.692; (13)Molar Refractivity: 53.83 cm³; (14)Molar Volume: 140.3 cm³; (15)Surface Tension: 57.2 dyne/cm; (16)Density: 1.364 g/cm³; (17)Flash Point: 149.9 °C; (18)Enthalpy of Vaporization: 56.62 kJ/mol; (19)Boiling Point: 324.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000249 mmHg at 25 °C.

Preparation: this chemical can be obtained by 1-(2-Amino-phenyl)-ethanone and N,N-Dimethyl-formamide. The reaction needs reagent POCl₃. The reaction temperature is 90°C. The yield is about 43 %.

The 4-Chloro-3-quinolinecarboxaldehyde can be obtained by 1-(2-Amino-phenyl)-ethanone and N,N-Dimethyl-formamide

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c2ccccc2ncc1C=O
(2) InChI: InChI=1/C10H6ClNO/c11-10-7(6-13)5-12-9-4-2-1-3-8(9)10/h1-6H
(3) InChIKey: PTCAOHUEDACTEB-UHFFFAOYAF