Name: 2,6-Dichloroquinoline-3-carbaldehyde
SKU: 73568-41-9

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Basic Information

Molecular Structure:
CAS No.:	73568-41-9
Name:	2,6-Dichloroquinoline-3-carbaldehyde
Article Data:	37

Formula:	C₁₀H₅Cl₂NO
Molecular Weight:	226.062
Synonyms:	2,6-Dichloro-3-quinolinecarboxaldehyde;
Density:	1.483 g/cm³
Boiling Point:	357.5 °C at 760 mmHg
Flash Point:	170 °C
Hazard Symbols:	Xi
Risk Codes:	22-36
Safety:	26
PSA:	29.96000
LogP:	3.35410

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Specification

The systematic name of 2,6-Dichloroquinoline-3-carbaldehyde is 2,6-dichloroquinoline-3-carbaldehyde. With the CAS registry number 73568-41-9, it is also named as 3-Quinolinecarboxaldehyde,2,6-dichloro-. In addition, its molecular formula is C₁₀H₅Cl₂NO and molecular weight is 226.06.

The other characteristics of 2,6-Dichloroquinoline-3-carbaldehyde can be summarized as: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.06; (6)ACD/BCF (pH 7.4): 77.06; (7)ACD/KOC (pH 5.5): 780.21; (8)ACD/KOC (pH 7.4): 780.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 58.72 cm³; (15)Molar Volume: 152.3 cm³; (16)Polarizability: 23.28×10^-24cm³; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.483 g/cm³; (19)Flash Point: 170 °C; (20)Enthalpy of Vaporization: 60.29 kJ/mol; (21)Boiling Point: 357.5 °C at 760 mmHg; (22)Vapour Pressure: 2.71E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccc2nc(Cl)c(cc2c1)C=O
(2)InChI: InChI=1/C10H5Cl2NO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H
(3)InChIKey: WZUNMOMEOMPYKZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H5Cl2NO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H
(5)Std. InChIKey: WZUNMOMEOMPYKZ-UHFFFAOYSA-N