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8-Bromo-2-chloroquinoline(CAS No. 163485-86-7)

8-Bromo-2-chloroquinoline C9H5BrClN (cas 163485-86-7) Molecular Structure

163485-86-7 Structure

Identification and Related Records

【Name】
8-Bromo-2-chloroquinoline
【CAS Registry number】
163485-86-7
【Synonyms】
quinoline, 8-bromo-2-chloro-
【Molecular Formula】
C9H5BrClN (Products with the same molecular formula)
【Molecular Weight】
242.50
【Inchi】
InChI=1/C9H5BrClN/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
【MOL File】
163485-86-7.mol

Chemical and Physical Properties

【Density】
1.673
【Boiling Point】
325.741 °C at 760 mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.68
【Flash Point】
325.741 °C at 760 mmHg

Safety and Handling

【Specification】

The 8-Bromo-2-chloroquinoline with cas registry number of 163485-86-7, has the systematic name of 8-bromo-2-chloroquinoline. And its IUPAC name is the same one.

Physical properties about this chemical are: (1)ACD/LogP: 3.19; (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): 261; (6)ACD/BCF (pH 7.4): 261; (7)ACD/KOC (pH 5.5): 1867; (8)ACD/KOC (pH 7.4): 1867; (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)Enthalpy of Vaporization: 54.532 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc1cccc2ccc(Cl)nc12;
(2)InChI: InChI=1/C9H5BrClN/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H;
(3)InChIKey: ZXSUGMMMZOMZTD-UHFFFAOYAH;
(4)Std. InChI: InChI=1S/C9H5BrClN/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H;
(5)Std. InChIKey: ZXSUGMMMZOMZTD-UHFFFAOYSA-N

Supplier Location

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