3-Quinolinecarboxaldehyde

The 3-Quinolinecarboxaldehyde with cas register number of 13669-42-6 is as white to yellow powder. It is sensitive to air. It also has the EINECS register number of 237-147-7. Both its systematic name and IUPAC name are the same which is called quinoline-3-carbaldehyde. This chemical belongs to the following categories: Carbonyl Compounds; Heterocycles; Quinolines, Quinazolines and derivatives; Building Blocks; Heterocyclic Building Blocks. It should be stored at temperature of 2-8°C.

The physical properties about this chemical are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.256; (4)ACD/LogD (pH 7.4): 1.259; (5)ACD/BCF (pH 5.5): 5.292; (6)ACD/BCF (pH 7.4): 5.33; (7)ACD/KOC (pH 5.5): 114.479; (8)ACD/KOC (pH 7.4): 115.299; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.687; (13)Molar Refractivity: 48.939 cm³; (14)Molar Volume: 128.439 cm³; (15)Surface Tension: 55.34 dyne/cm; (16)Density: 1.224 g/cm³; (17)Flash Point: 151.879 °C ; (18) Enthalpy of Vaporization: 55.547 kJ/mol; (19)Boiling Point: 314.316 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 3-Quinolinecarboxaldehyde: it can be made by quinoline-3-carbonitrile with reagent semicarbazide hydrochloride and catalyst Raney nickel. The yield is about 55%.

Uses of 3-Quinolinecarboxaldehyde: it can be used to make quinolin-3-yl-methanol with reagent NaBH4 and solvent Ethanol at temperature of 20 ℃. The reaction time is 1 hour.

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: c1ccc2c(c1)cc(cn2)C=O;
(2)InChI: InChI=1/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7H;
(3)InChIKey: RYGIHSLRMNXWCN-UHFFFAOYAE