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Quinoline,2-bromo-6-chloro- (891842-50-5)

Identification
Name:Quinoline,2-bromo-6-chloro-
Synonyms:2-Bromo-6-chloroquinoline;
CAS:891842-50-5
Molecular Formula: C9H5BrClN
Molecular Weight: 242.50
InChI: InChI=1/C9H5BrClN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
Molecular Structure: (C9H5BrClN) 2-Bromo-6-chloroquinoline;
Properties
Flash Point: 328.087 °C at 760 mmHg
Boiling Point: 328.087 °C at 760 mmHg
Density:1.673
Refractive index:1.68
Specification:

The IUPAC name of 2-Bromo-6-chloroquinoline is 2-Bromo-6-chloroquinoline. With the CAS registry number 891842-50-5, it is also named as Quinoline,2-bromo-6-chloro-. In addition, its molecular formula is C9H5BrClN and its molecular weight is 242.50. 

The other characteristics of 2-Bromo-6-chloroquinoline can be summarized as: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.728; (4)ACD/LogD (pH 7.4): 3.728; (5)ACD/BCF (pH 5.5): 400.933; (6)ACD/BCF (pH 7.4): 400.934; (7)ACD/KOC (pH 5.5): 2540.286; (8)ACD/KOC (pH 7.4): 2540.291; (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: 1.68; (14)Molar Refractivity: 54.772 cm3; (15)Molar Volume: 144.909 cm3; (16)Polarizability: 21.713×10-24cm3; (17)Surface Tension: 53.343 dyne/cm; (18)Density: 1.673 g/cm3; (19)Flash Point: 152.222 °C; (20)Enthalpy of Vaporization: 54.779 kJ/mol; (21)Boiling Point: 328.087 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(nc2c1cc(cc2)Cl)Br
(2)InChI:InChI=1/C9H5BrClN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
(3)InChIKey:CZRQPBUNCHUQAN-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C9H5BrClN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
(5)Std. InChIKey:CZRQPBUNCHUQAN-UHFFFAOYSA-N

Flash Point: 328.087 °C at 760 mmHg
Safety Data
 

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