6-Chloro-3-formyl-7-methylchromone

The 6-Chloro-3-formyl-7-methylchromone, with the CAS registry number 64481-12-5, is also known as 4H-1-Benzopyran-3-carboxaldehyde, 6-chloro-7-methyl-4-oxo-. It belongs to the product category of Chromones. This chemical's molecular formula is C₁₁H₇ClO₃ and molecular weight is 222.62. What's more, its systematic name is 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant.

Physical properties about 6-Chloro-3-formyl-7-methylchromone are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.55; (6)ACD/BCF (pH 7.4): 15.55; (7)ACD/KOC (pH 5.5): 248.11; (8)ACD/KOC (pH 7.4): 248.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 56.09 cm³; (15)Molar Volume: 149.8 cm³; (16)Polarizability: 22.23×10^-24 cm³; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.485 g/cm³; (19)Flash Point: 171.3 °C; (20)Enthalpy of Vaporization: 62.91 kJ/mol; (21)Boiling Point: 380.9 °C at 760 mmHg; (22)Vapour Pressure: 5.26E-06 mmHg at 25 °C.

Preparation of 6-Chloro-3-formyl-7-methylchromone: this chemical is prepared by reaction of 3-(5-Chloro-2-hydroxy-4-methyl-phenyl)-3-oxo-propionaldehyde with N, N-Dimethyl-formamide at ambient temperature. The reaction needs reagent POCl₃. The reaction time is 24 hours. The yield is about 58 %.

Uses of 6-Chloro-3-formyl-7-methylchromone: it is used to produce other chemicals. For example, it is used to produce 6-Chloro-3-(6-chloro-4-oxo-chroman-3-ylidenemethyl)-7-methyl-chromen-4-one by heating. The reaction needs reagent Et₃N and solvent Ethanol. The reaction time is 3 hours. The yield is about 72 %.

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: Clc2c(cc1O/C=C(\C(=O)c1c2)C=O)C
(2) InChI: InChI=1/C11H7ClO3/c1-6-2-10-8(3-9(6)12)11(14)7(4-13)5-15-10/h2-5H,1H3
(3) InChIKey: NULJNFUEBPQUNB-UHFFFAOYAO