Basic Information | Post buying leads | Suppliers |
Name |
4-Chloro-7-methoxy-2-(trifluoromethyl)quinoline |
EINECS | N/A |
CAS No. | 401567-80-4 | Density | N/A |
PSA | 22.12000 | LogP | 3.91560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H7ClF3NO | Boiling Point | 280.706 °C at 760 mmHg |
Molecular Weight | 261.6276 | Flash Point | 123.567 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-7-methoxy-2-(trifluoromethyl)quinoline |
The systematic name of this chemical is 4-Chloro-7-methoxy-2-(trifluoromethyl)quinoline. It has CAS registry number 401567-80-4. In addition, its molecular formula is C11H7ClF3NO and molecular weight is 261.6276.
Physical properties about the 4-Chloro-7-methoxy-2-(trifluoromethyl)quinoline are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 453; (6)ACD/BCF (pH 7.4): 453; (7)ACD/KOC (pH 5.5): 2770; (8)ACD/KOC (pH 7.4): 2770; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 58.74 cm3; (15)Molar Volume: 186.237 cm3; (16)Surface Tension: 35.628 dyne/cm; (17)Density: 1.405 g/cm3; (18)Flash Point: 123.567 °C; (19)Enthalpy of Vaporization: 49.859 kJ/mol; (20)Boiling Point: 280.706 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(Cl)c2ccc(cc2n1)OC
(2) InChI: InChI=1/C11H7ClF3NO/c1-17-6-2-3-7-8(12)5-10(11(13,14)15)16-9(7)4-6/h2-5H,1H3
(3) InChIKey: XXQNTJYGCQHTEQ-UHFFFAOYAS