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132118-52-6

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Basic Information
CAS No.: 132118-52-6
Name: 7-Bromo-2-chloro-3-ethylquinoline
Molecular Structure:
Molecular Structure of 132118-52-6 (7-Bromo-2-chloro-3-ethylquinoline)
Formula: C11H9BrClN
Molecular Weight: 270.556
Synonyms: 7-Bromo-2-chloro-3-ethylquinoline;
Density: 1.522 g/cm3
Boiling Point: 345.5 °C at 760 mmHg
Flash Point: 162.8 °C
Hazard Symbols: Xn
Risk Codes: 22-41
Safety: 26-39
PSA: 12.89000
LogP: 4.21310
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Specification

The 7-Bromo-2-chloro-3-ethylquinoline, with the CAS registry number 132118-52-6, is also known as Quinoline, 7-bromo-2-chloro-3-ethyl-. This chemical's molecular formula is C11H9BrClN and molecular weight is 270.55. Its systematic name is called 7-bromo-2-chloro-3-ethylquinoline.

Physical properties of 7-Bromo-2-chloro-3-ethylquinoline: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.54; (4)ACD/LogD (pH 7.4): 4.54; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.643; (9)Molar Refractivity: 64.32 cm3; (10)Molar Volume: 177.7 cm3; (11)Surface Tension: 48.1 dyne/cm; (12)Density: 1.522 g/cm3; (13)Flash Point: 162.8 °C; (14)Enthalpy of Vaporization: 56.63 kJ/mol; (15)Boiling Point: 345.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000122 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cc2ccc(cc2nc1Cl)Br
(2)InChI: InChI=1/C11H9BrClN/c1-2-7-5-8-3-4-9(12)6-10(8)14-11(7)13/h3-6H,2H2,1H3
(3)InChIKey: SNQLRYSTCVHESD-UHFFFAOYAE