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Name |
Quinoline,4,6-dichloro-2-methyl- |
EINECS | N/A |
CAS No. | 53342-53-3 | Density | 1.351 g/cm3 |
PSA | 12.89000 | LogP | 3.85000 |
Solubility | N/A | Melting Point |
83.0 to 87.0 °C |
Formula | C10H7Cl2N | Boiling Point | 291.4 °C at 760 mmHg |
Molecular Weight | 212.078 | Flash Point | 157.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39-45 | Risk Codes | 25-41 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
Quinaldine,4,6-dichloro- (6CI,7CI);2-Methyl-4,6-dichloroquinoline;4,6-Dichloro-2-methylquinoline;4,6-Dichloroquinaldine; |
Article Data | 15 |
The Quinoline,4,6-dichloro-2-methyl-, with CAS registry number 53342-53-3, has the IUPAC name 4,6-dichloro-2-methylquinoline. Its molecular formula is C10H7Cl2N and its molecular weight is 212.08. Additionally, this chemical is also named as 4,6-Dichloroquinaldine.
Other characteristics of the Quinoline,4,6-dichloro-2-methyl- can be summarised as followings: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 4.06; (5)ACD/BCF (pH 5.5): 714.67; (6)ACD/BCF (pH 7.4): 722.87; (7)ACD/KOC (pH 5.5): 3829.51; (8)ACD/KOC (pH 7.4): 3873.44; (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: 1.643; (14)Molar Refractivity: 56.8 cm3; (15)Molar Volume: 156.9 cm3; (16)Polarizability: 22.51×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.351 g/cm3; (19)Flash Point: 157.7 °C; (20)Enthalpy of Vaporization: 50.96 kJ/mol; (21)Boiling Point: 291.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00341 mmHg at 25°C.
Uses of the Quinoline,4,6-dichloro-2-methyl-: It can be used to produce 1-(6-chloro-2-methyl-quinolin-4-yl)-4-phenyl-πperidin-4-ol. This reaction will need the reagent pyridine and the solvent ethanol. The reaction time is 8 hours and its yield is about 75 %. Moreover, this reaction needs the heating.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2nc(C)cc(Cl)c2c1
(2)InChI: InChI=1/C10H7Cl2N/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
(3)InChIKey: KYBCQZHRJZJYCE-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H7Cl2N/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
(5)Std. InChIKey: KYBCQZHRJZJYCE-UHFFFAOYSA-N