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4-Chloro-3-quinolinecarboxaldehyde

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Name

4-Chloro-3-quinolinecarboxaldehyde

EINECS N/A
CAS No. 201420-30-6 Density 1.364 g/cm3
PSA 29.96000 LogP 2.70070
Solubility N/A Melting Point 162 °C(Solv: benzene (71-43-2))
Formula C10H6ClNO Boiling Point 324.2 °C at 760 mmHg
Molecular Weight 191.617 Flash Point 149.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 201420-30-6 (4-Chloro-3-quinolinecarboxaldehyde) Hazard Symbols N/A
Synonyms

3-Quinolinecarboxaldehyde, 4-chloro-;

Article Data 15

4-Chloro-3-quinolinecarboxaldehyde 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

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