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4-Bromo-8-trifluoromethylquinoline

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Name

4-Bromo-8-trifluoromethylquinoline

EINECS N/A
CAS No. 260973-10-2 Density 1.658 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C10H5BrF3N Boiling Point 301.3 °C at 760 mmHg
Molecular Weight 276.056 Flash Point 136 °C
Transport Information N/A Appearance N/A
Safety 26-45 Risk Codes 25-36
Molecular Structure Molecular Structure of 260973-10-2 (4-Bromo-8-trifluoromethylquinoline) Hazard Symbols T
Synonyms

Quinoline, 4-bromo-8-(trifluoromethyl)-;

 

4-Bromo-8-trifluoromethylquinoline Specification

The 4-Bromo-8-trifluoromethylquinoline, with the CAS registry number of 260973-10-2, is also known as Quinoline, 4-bromo-8-(trifluoromethyl)-. Its molecular formula is C10H5BrF3N and molecular weight is 276.05. What's more, its systematic name is 4-Bromo-8-(trifluoromethyl)quinoline.

Physical properties about the 4-Bromo-8-trifluoromethylquinoline are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 151.26; (6)ACD/BCF (pH 7.4): 151.27; (7)ACD/KOC (pH 5.5): 1264.3; (8)ACD/KOC (pH 7.4): 1264.35; (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: 1.573; (14)Molar Refractivity: 54.85 cm3; (15)Molar Volume: 166.4 cm3; (16)Surface Tension: 37.8 dyne/cm; (17)Density: 1.658 g/cm3; (18)Flash Point: 136 °C; (19)Enthalpy of Vaporization: 51.98 kJ/mol; (20)Boiling Point: 301.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00189 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cccc2c(Br)ccnc12
(2) InChI: InChI=1/C10H5BrF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H
(3) InChIKey: ZLLWNTMVQORUCR-UHFFFAOYAJ

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