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8-Bromo-6-trifluoromethoxyquinoline

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Name

8-Bromo-6-trifluoromethoxyquinoline

EINECS N/A
CAS No. 1020253-25-1 Density 1.684 g/cm3
PSA 22.12000 LogP 3.89590
Solubility N/A Melting Point 45-46 °C
Formula C10H5BrF3NO Boiling Point 293.8 °C at 760 mmHg
Molecular Weight 292.055 Flash Point 131.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 1020253-25-1 (8-Bromo-6-trifluoromethoxyquinoline) Hazard Symbols IrritantXi
Synonyms

8-Bromo-6-trifluoromethoxyquinoline;

 

8-Bromo-6-trifluoromethoxyquinoline Specification

The CAS register number of 8-Bromo-6-trifluoromethoxyquinoline is 1020253-25-1. It also can be called as quinoline, 4-bromo-6-(trifluoromethoxy)- and the systematic name about this chemical is 4-bromo-6-(trifluoromethoxy)quinoline. The molecular formula about this chemical is C10H5BrF3NO and the molecular weight is 292.10. It belongs to the following product categories, such as Blocks; Carboxes; Bromides; BuildingBlocks; FluoroCompounds; Sulfonamides; Imidazoles; NitroCompounds and so on.

Physical properties about 8-Bromo-6-trifluoromethoxyquinoline are: (1)ACD/LogP: 3.98; (2)ACD/LogD (pH 5.5): 3.98; (3)ACD/LogD (pH 7.4): 3.98; (4)ACD/BCF (pH 5.5): 623.53; (5)ACD/BCF (pH 7.4): 623.98; (6)ACD/KOC (pH 5.5): 3483.95; (7)ACD/KOC (pH 7.4): 3486.47; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 22.12Å2; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 57.01 cm3; (13)Molar Volume: 173.3 cm3; (14)Polarizability: 22.6x10-24cm3; (15)Surface Tension: 40 dyne/cm; (16)Enthalpy of Vaporization: 51.2 kJ/mol; (17)Boiling Point: 293.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00297 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1OC(F)(F)F)c(ccn2)Br
(2)InChI: InChI=1/C10H5BrF3NO/c11-8-3-4-15-9-2-1-6(5-7(8)9)16-10(12,13)14/h1-5H
(3)InChIKey: MQWWGBHKEREGLA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H5BrF3NO/c11-8-3-4-15-9-2-1-6(5-7(8)9)16-10(12,13)14/h1-5H
(5)Std. InChIKey: MQWWGBHKEREGLA-UHFFFAOYSA-N

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