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99455-13-7

Basic Information
CAS No.: 99455-13-7
Name: 5-Bromo-2-chloroquinoline
Article Data: 13
Molecular Structure:
Molecular Structure of 99455-13-7 (5-Bromo-2-chloroquinoline)
Formula: C9H5BrClN
Molecular Weight: 242.502
Synonyms: quinoline, 5-bromo-2-chloro-;
Density: 1.673 g/cm3
Boiling Point: 325.741 °C at 760 mmHg
Flash Point: 150.803 °C
Risk Codes: 41
Safety: 26-39
PSA: 12.89000
LogP: 3.65070
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  • 5-BROMO-2-CHLOROQUINOLINE  CAS NO.99455-13-7

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Specification

The 5-Bromo-2-chloroquinoline with the cas number 99455-13-7 is also called quinoline, 5-bromo-2-chloro-. Its molecular formula is C9H5BrClN. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.98; (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: Brc1cccc2nc(Cl)ccc12
(2)InChI: InChI=1/C9H5BrClN/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H
(3)InChIKey: NRBXCMIOQORNNX-UHFFFAOYAR