Basic information
- Name:
Quinoline,3-bromo-2-chloro-
- CAS No.:
101870-60-4
- Molecular Structure:
- Formula:
- C9H5BrClN
- Molecular Weight:
- 242.5
- Synonyms:
- 2-Chloro-3-bromoquinoline;3-Bromo-2-chloroquinoline;
- Density:
- 1.673 g/cm3
- Boiling Point:
- 311.2 °C at 760 mmHg
- Flash Point:
- 142 °C
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Specification
The CAS register number of Quinoline,3-bromo-2-chloro- is 101870-60-4. It also can be called as 2-Chloro-3-bromoquinoline and the systematic name about this chemical is 3-bromo-2-chloroquinoline. The molecular formula about this chemical is C9H5BrClN and the molecular weight is 242.5.
Physical properties about Quinoline,3-bromo-2-chloro- are: (1)ACD/LogP: 3.57; (2)ACD/LogD (pH 5.5): 3.57; (3)ACD/LogD (pH 7.4): 3.57; (4)ACD/BCF (pH 5.5): 302.14; (5)ACD/BCF (pH 7.4): 302.14; (6)ACD/KOC (pH 5.5): 2074.62; (7)ACD/KOC (pH 7.4): 2074.62; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.68; (11)Molar Refractivity: 54.77 cm3; (12)Molar Volume: 144.9 cm3; (13)Polarizability: 21.71x10-24cm3; (14)Surface Tension: 53.3 dyne/cm; (15)Density: 1.673 g/cm3; (16)Flash Point: 142 °C; (17)Enthalpy of Vaporization: 53.01 kJ/mol; (18)Boiling Point: 311.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00105 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2ccccc2nc1Cl
(2)InChI: InChI=1/C9H5BrClN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
(3)InChIKey: RWWUFTQVKMNRQN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H5BrClN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
(5)Std. InChIKey: RWWUFTQVKMNRQN-UHFFFAOYSA-N