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| CAS No.: | 163485-86-7 |
|---|---|
| Name: | 8-Bromo-2-chloroquinoline |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H5BrClN |
| Molecular Weight: | 242.502 |
| Synonyms: | quinoline, 8-bromo-2-chloro-; |
| Density: | 1.673g/cm3 |
| Melting Point: | 113-114 °C(Solv: methanol (67-56-1)) |
| Boiling Point: | 325.741 °C at 760 mmHg |
| Flash Point: | 150.803 °C |
| PSA: | 12.89000 |
| LogP: | 3.65070 |
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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