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Quinoline,6-bromo-4-chloro-2-methyl- (53364-85-5)

Identification
Name:Quinoline,6-bromo-4-chloro-2-methyl-
Synonyms:Quinaldine,6-bromo-4-chloro- (4CI);6-Bromo-4-chloro-2-methylquinoline;
CAS:53364-85-5
Molecular Formula: C10H7BrClN
Molecular Weight: 256.53
InChI: InChI=1/C10H7BrClN/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
Molecular Structure: (C10H7BrClN) Quinaldine,6-bromo-4-chloro- (4CI);6-Bromo-4-chloro-2-methylquinoline;
Properties
Flash Point: 148.5°C
Boiling Point: 321.9°Cat760mmHg
Density:1.591g/cm3
Refractive index:1.661
Specification:

The 6-Bromo-4-chloro-2-methylquinoline with cas registry number of 53364-85-5, has the systematic name of 6-bromo-4-chloro-2-methylquinoline. And its IUPAC name is also 6-bromo-4-chloro-2-methylquinoline. Besides this, it is also named quinoline, 6-bromo-4-chloro-2-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 3.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.89 Å2; (7)Index of Refraction: 1.661; (8)Molar Refractivity: 59.59 cm3; (9)Molar Volume: 161.1 cm3; (10)Polarizability: 23.62×10-24cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Enthalpy of Vaporization: 54.12 kJ/mol; (13)Vapour Pressure: 0.000546 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2nc(cc(Cl)c2c1)C;
(2)InChI: InChI=1/C10H7BrClN/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3;
(3)InChIKey: OCNREXWJWVKEEB-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C10H7BrClN/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3;
(5)Std. InChIKey: OCNREXWJWVKEEB-UHFFFAOYSA-N

Flash Point: 148.5°C
Safety Data
 

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