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| CAS No.: | 5470-96-2 |
|---|---|
| Name: | 2-Quinolinecarboxaldehyde |
| Article Data: | 103 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C10H7NO |
| Molecular Weight: | 157.172 |
| Synonyms: | Quinaldaldehyde(6CI,7CI,8CI);2-Formylquinoline;2-Quinolylaldehyde;2-Quinolylcarbaldehyde;NSC 27026;Quinoline-2-carbaldehyde; |
| EINECS: | 226-804-3 |
| Density: | 1.223 g/cm3 |
| Melting Point: | 70-72 °C(lit.) |
| Boiling Point: | 314.3 °C at 760 mmHg |
| Flash Point: | 151.9 °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: | 29.96000 |
| LogP: | 2.04730 |
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Specification
The 2-Quinolinecarboxaldehyde with cas registry number of 5470-96-2 is a white to light yellow crystal powder. It is stable under normal temperatures and pressures and incompatible with strong oxidizing agents, strong bases. It is also sensitive to air. This chemical belongs to the following categories: Quinoline & Isoquinoline; Quinoline Derivertives; Quinolinecarboxylic Acids, etc.; Quinolines; Building Blocks; Heterocyclic Building Blocks. It has the EINECS registry number of 226-804-3. In addition, Both its systematic name and IUPAC name are the same which is called quinoline-2-carbaldehyde.
The physical properties about this chemical are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.49; (6)ACD/BCF (pH 7.4): 24.91; (7)ACD/KOC (pH 5.5): 341.8; (8)ACD/KOC (pH 7.4): 347.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.687; (13)Molar Refractivity: 48.93 cm3; (14)Molar Volume: 128.4 cm3; (15)Surface Tension: 55.3 dyne/cm; (16)Density: 1.223 g/cm3; (17)Flash Point: 151.9 °C; (18)Enthalpy of Vaporization: 55.55 kJ/mol; (19)Boiling Point: 314.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00047 mmHg at 25°C.
Preparation of 2-Quinolinecarboxaldehyde: it can be prepared by 2-methyl-quinoline together with reagents SeO2, tert-butyl hydroperoxide and solvent dioxane at temperature of 50 ℃.
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Uses of 2-Quinolinecarboxaldehyde: it can react with aniline to manufacturer N-quinolin-2-ylmethylene-aniline by using solvent Ethanol.
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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. 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: O=Cc1nc2ccccc2cc1;
(2)InChI: InChI=1/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H;
(3)InChIKey: WPYJKGWLDJECQD-UHFFFAOYAZ