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| CAS No.: | 4295-04-9 |
|---|---|
| Name: | 4-CHLORO-6-METHOXYQUINOLINE |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H8ClNO |
| Molecular Weight: | 193.633 |
| Synonyms: | NSC 21207; |
| EINECS: | -0 |
| Density: | 1.268 g/cm3 |
| Melting Point: | 79-79.5 °C |
| Boiling Point: | 299.9 °C at 760 mmHg |
| Flash Point: | 135.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 22.12000 |
| LogP: | 2.89680 |
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Specification
The 4-Chloro-6-methoxyquinoline with the CAS number 4295-04-9 is also called Quinoline,4-chloro-6-methoxy-. Its molecular formula is C10H8ClNO. This chemical is irritant. While using this chemical, you should be very cautious. It should be stored in dry and cool environment.
The properties of the 4-Chloro-6-methoxyquinoline are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22.12 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 53.76 cm3; (9)Molar Volume: 152.7 cm3; (10)Polarizability: 21.31×10-24cm3; (11)Surface Tension: 46 dyne/cm; (12)Enthalpy of Vaporization: 51.83 kJ/mol; (13)Vapour Pressure: 0.00207 mmHg at 25°C.
Uses: This chemical can react with benzenethiol to prepare 6-methoxy-4-phenylsulfanyl-quinoline. This reaction needs solvent benzene at heating condition. The reaction time is 16 hours. The yield is 92%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c2cc(OC)ccc2ncc1
(2)InChI: InChI=1/C10H8ClNO/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
(3)InChIKey: BEOVBLPXVFICSP-UHFFFAOYAY