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| CAS No.: | 2598-29-0 |
|---|---|
| Name: | 8-ACETOXYQUINOLINE |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C11H9NO2 |
| Molecular Weight: | 187.198 |
| Synonyms: | 8-Quinolinol,acetate (ester) (6CI,7CI,8CI,9CI);8-Acetyloxyquinoline;8-Quinolinol acetate;8-Quinolyl acetate;NSC 508813;O-Acetyl-8-hydroxyquinoline; |
| EINECS: | 219-999-1 |
| Density: | 1.212 g/cm3 |
| Melting Point: | 56-57°C |
| Boiling Point: | 321.642 °C at 760 mmHg |
| Flash Point: | 148.324 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 39.19000 |
| LogP: | 2.16010 |
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Specification
This chemical is called 8-Quinolinyl acetate, and its CAS registry number is 2598-29-0. With the molecular formula of C11H9NO2, its molecular weight is 187.19. In addition, this chemical should be sealed in the cool and dry plcace.
Other characteristics of the 8-Quinolinyl acetate can be summarised as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.51; (6)ACD/BCF (pH 7.4): 20.55; (7)ACD/KOC (pH 5.5): 302.27; (8)ACD/KOC (pH 7.4): 302.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 53.52 cm3; (15)Molar Volume: 154.4 cm3; (16)Polarizability: 21.22×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.212 g/cm3; (19)Flash Point: 148.3 °C; (20)Enthalpy of Vaporization: 56.34 kJ/mol; (21)Boiling Point: 321.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000294 mmHg at 25°C.
Production method of this chemical: The 8-Quinolinyl acetate could be obtained by the reactants of acetic acid anhydride and quinolin-8-ol. This reaction needs the reagent of sodium acetate.
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Uses of this chemical: The 8-Quinolinyl acetate could react with dichloro-ethyl-aluminium, and obtain the butan-2-one. This reaction needs the solvent of CH2Cl2. The yield is 81 %.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Oc1cccc2cccnc12)C
2.InChI: InChI=1/C11H9NO2/c1-8(13)14-10-6-2-4-9-5-3-7-12-11(9)10/h2-7H,1H3
3.InChIKey: MZPCTRNDYNHZQE-UHFFFAOYAY
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Indian Journal of Physiology and Pharmacology. Vol. 8, Pg. 33, 1964. |