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Name |
Quinoline,2,4,6-trimethyl- |
EINECS | 218-823-0 |
CAS No. | 2243-89-2 | Density | 1.034 g/cm3 |
PSA | 12.89000 | LogP | 3.16000 |
Solubility | N/A | Melting Point |
68°C |
Formula | C12H13N | Boiling Point | 281.8 °C at 760 mmHg |
Molecular Weight | 171.242 | Flash Point | 115.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4,6-Trimethylquinoline;4,6-Dimethylquinaldine; |
Article Data | 27 |
The Quinoline,2,4,6-trimethyl-, with the CAS registry number 2243-89-2, has the IUPAC name 2,4,6-trimethylquinoline. Its molecular formula is C12H13N and its molecular weight is 171.23832. Additionally, its EINECS is 218-823-0.
Other characteristics of the Quinoline,2,4,6-trimethyl- can be summarised as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 16.43; (6)ACD/BCF (pH 7.4): 212.5; (7)ACD/KOC (pH 5.5): 118.69; (8)ACD/KOC (pH 7.4): 1534.96; (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: 1.6; (14)Molar Refractivity: 56.66 cm3; (15)Molar Volume: 165.5 cm3; (16)Polarizability: 22.46×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.034 g/cm3; (19)Flash Point: 115.9 °C; (20)Enthalpy of Vaporization: 49.97 kJ/mol; (21)Boiling Point: 281.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00594 mmHg at 25°C.
Production method of the Quinoline,2,4,6-trimethyl-: It could be obtained by the reactant of 3-iodo-2,4,6-trimethyl-1,2,3,4-tetrahydro-quinoline. This reaction needs the reagent of Na2S2O3, and the solvent of H2O. The yield is 20 %.
Uses of the Quinoline,2,4,6-trimethyl-: It could react with 2-bromo-1-phenyl-ethanone to obtain the 5,7-dimethyl-2-phenyl-pyrrolo[1,2-a]quinoline. This reaction needs the solvent of benzene. The yield is 50 %. In addition, this reaction should be taken for 5 hours. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: n1c(cc(c2cc(ccc12)C)C)C
2.InChI: InChI=1/C12H13N/c1-8-4-5-12-11(6-8)9(2)7-10(3)13-12/h4-7H,1-3H3
3.InChIKey: ZXGXGZGKWSUMJK-UHFFFAOYAO