Basic information
- Name:
Quinoline,2,3-dichloro-
- CAS No.:
613-18-3
- Molecular Structure:
- Formula:
- C9H5Cl2N
- Molecular Weight:
- 198.0487
- Synonyms:
- 2,3-Dichloroquinoline;
- Density:
- 1.407 g/cm3
- Boiling Point:
- 288.769 °C at 760 mmHg
- Flash Point:
- 155.958 °C
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Specification
The Quinoline,2,3-dichloro-, with CAS registry number 613-18-3, has the systematic name of 2,3-dichloroquinoline. Its molecular weight is 198.0487. And the chemical formula of this chemical is C9H5Cl2N.
Physical properties of Quinoline,2,3-dichloro-: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 263; (6)ACD/BCF (pH 7.4): 263; (7)ACD/KOC (pH 5.5): 1878; (8)ACD/KOC (pH 7.4): 1878; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 51.977 cm3; (15)Molar Volume: 140.674 cm3; (16)Polarizability: 20.605×10-24cm3; (17)Surface Tension: 51.579 dyne/cm; (18)Density: 1.408 g/cm3; (19)Flash Point: 155.958 °C; (20)Enthalpy of Vaporization: 50.686 kJ/mol; (21)Boiling Point: 288.769 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2ccccc2nc1Cl
(2)InChI: InChI=1/C9H5Cl2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
(3)InChIKey: KWVNKWCJDAWNAE-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H5Cl2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
(5)Std. InChIKey: KWVNKWCJDAWNAE-UHFFFAOYSA-N