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| CAS No.: | 18529-09-4 |
|---|---|
| Name: | 4-CHLORO-2-METHYL-7-(TRIFLUOROMETHYL)QUINOLINE |
| Molecular Structure: | |
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| Formula: | C11H7ClF3N |
| Molecular Weight: | 245.63 |
| Synonyms: | 4-Chloro-2-methyl-7-(trifluoromethyl)quinoline;4-Chloro-7-trifluoromethylquinaldine; |
| Density: | 1.376 g/cm3 |
| Boiling Point: | 277.2 °C at 760 mmHg |
| Flash Point: | 121.5 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25-41 |
| Safety: | 26-39-45 |
| PSA: | 12.89000 |
| LogP: | 4.21540 |
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Specification
The CAS register number of Quinoline,4-chloro-2-methyl-7-(trifluoromethyl)- is 18529-09-4. It also can be called as 4-Chloro-7-trifluoromethylquinaldine and the IUPAC name about this chemical is 4-chloro-2-methyl-7-(trifluoromethyl)quinoline. The molecular formula about this chemical is C11H7ClF3N and the molecular weight is 245.63.
Physical properties about Quinoline,4-chloro-2-methyl-7-(trifluoromethyl)- are: (1)ACD/LogP: 4.18; (2)ACD/LogD (pH 5.5): 4.18; (3)ACD/LogD (pH 7.4): 4.18; (4)ACD/BCF (pH 5.5): 876.95; (5)ACD/BCF (pH 7.4): 877.22; (6)ACD/KOC (pH 5.5): 4447.76; (7)ACD/KOC (pH 7.4): 4449.15; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.55; (11)Molar Refractivity: 56.88 cm3; (12)Molar Volume: 178.5 cm3; (13)Polarizability: 22.55x10-24cm3; (14)Surface Tension: 35.5 dyne/cm; (15)Density: 1.376 g/cm3; (16)Flash Point: 121.5 °C; (17)Enthalpy of Vaporization: 49.51 kJ/mol; (18)Boiling Point: 277.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00772 mmHg at 25 °C.
Uses of Quinoline,4-chloro-2-methyl-7-(trifluoromethyl)-: it can be used to produce 4-(2,6-dinitro-4-trifluoromethyl-phenoxy)-2-methyl-7-trifluoromethyl-quinoline with 2,6-Dinitro-4-trifluormethylnatriumphenolat. The reaction temperature is 100 °C. The yield is about 21%.
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You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc2nc(cc(Cl)c2cc1)C
(2)InChI: InChI=1/C11H7ClF3N/c1-6-4-9(12)8-3-2-7(11(13,14)15)5-10(8)16-6/h2-5H,1H3
(3)InChIKey: KQXIMYKBHAMAAM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H7ClF3N/c1-6-4-9(12)8-3-2-7(11(13,14)15)5-10(8)16-6/h2-5H,1H3
(5)Std. InChIKey: KQXIMYKBHAMAAM-UHFFFAOYSA-N