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| CAS No.: | 86-59-9 |
|---|---|
| Name: | 8-Quinolinecarboxylic acid |
| Molecular Structure: | |
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| Formula: | C10H7NO2 |
| Molecular Weight: | 173.171 |
| Synonyms: | 8-Carboxyquinoline;NSC 6505;Quinoline-8-carboxylic acid;8-Quinolinecarboxylicacid; |
| EINECS: | -0 |
| Density: | 1.339 g/cm3 |
| Melting Point: | 183-185 °C |
| Boiling Point: | 386.5 °C at 760 mmHg |
| Flash Point: | 187.5 °C |
| Solubility: | insoluble in water |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 50.19000 |
| LogP: | 1.93300 |
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Specification
The 8-Quinolinecarboxylic acid with cas registry number of 86-59-9 is white to light yellow crystal powder. It is stable, but incompatible with other materials Strong oxidizing agents, acids, bases. It is also insoluble in water. As a chemical, it also its systematic name and IUPAC name which are the same called quinoline-8-carboxylic acid. This chemical belongs to the following categories: Quinolines, Quinazolines and derivatives; Quinolinecarboxylic Acids; Building Blocks; Heterocyclic Building Blocks.
The physical properties about this chemical are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1 ; (10)Index of Refraction: 1.685; (11)Molar Refractivity: 49.117 cm3; (12)Molar Volume: 129.303 cm3; (13)Surface Tension: 65.17 dyne/cm; (14)Density: 1.339 g/cm3; (15)Flash Point: 187.546 °C; (16)Enthalpy of Vaporization: 67.024 kJ/mol; (17)Boiling Point: 386.496 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cccnc2c(c1)C(=O)O;
(2)InChI: InChI=1/C10H7NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H,12,13);
(3)InChIKey: QRDZFPUVLYEQTA-UHFFFAOYAX