Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | T | |
Synonyms |
Quinoline, 4-bromo-8-(trifluoromethyl)-; |
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