3-Cyano-6-methylchromone

The 3-Cyano-6-methylchromone, with the CAS registry number 50743-18-5, is also known as 6-Methylchromone-3-carbonitrile. It belongs to the product category of Chromones. This chemical's molecular formula is C₁₁H₇NO₂ and molecular weight is 185.18. What's more, its systematic name is 6-Methyl-4-oxo-4H-chromene-3-carbonitrile. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about 3-Cyano-6-methylchromone are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 50.09 Å²; (7)Index of Refraction: 1.606; (8)Molar Refractivity: 49.32 cm³; (9)Molar Volume: 142.9 cm³; (10)Polarizability: 19.55×10^-24 cm³; (11)Surface Tension: 55.1 dyne/cm; (12)Density: 1.29 g/cm³; (13)Flash Point: 135.2 °C; (14)Enthalpy of Vaporization: 55.25 kJ/mol; (15)Boiling Point: 311.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000559 mmHg at 25 °C.

Preparation of 3-Cyano-6-methylchromone: this chemical is prepared by 6-Methyl-4-oxo-4H-chromene-3-carbaldehyde by heating. This reaction needs reagent Hydroxylamine hydrochloride, catalyst Sodium iodide and solvent Acetonitrile. The reaction time is 2 hours. The yield is about 67 %.

Uses of 3-Cyano-6-methylchromone: it is used to produce other chemicals. For example, it is used to produce 2, 6-Dimethyl-4-oxo-4H-chromene-3-carbonitrile. This reaction needs solvents Tetrahydrofuran and Diethyl ether. The reaction time is 1 hours with reaction temperature of 0 °C. The yield is about 94 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. 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=C1c2c(O/C=C1/C#N)ccc(c2)C
(2) InChI: InChI=1/C11H7NO2/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-4,6H,1H3
(3) InChIKey: FNRLRLMPBIRUSQ-UHFFFAOYAU