4-METHOXYCOUMARIN

The 2H-1-Benzopyran-2-one,4-methoxy-, with the CAS registry number 20280-81-3, is also known as 4-Methoxy-2H-chromen-2-one. It belongs to the product category of Coumarins. This chemical's molecular formula is C₁₀H₈O₃ and molecular weight is 176.17. What's more, its IUPAC name is called 4-Methoxychromen-2-one. It should be kept in a cold, airtight and dry place.

Physical properties about 2H-1-Benzopyran-2-one,4-methoxy- are: (1) ACD/LogP: 1.84; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.84; (4) ACD/LogD (pH 7.4): 1.84; (5) ACD/BCF (pH 5.5): 14.84; (6) ACD/BCF (pH 7.4): 14.84; (7) ACD/KOC (pH 5.5): 239.92; (8) ACD/KOC (pH 7.4): 239.92; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 35.53 Å²; (13) Index of Refraction: 1.581; (14) Molar Refractivity: 46.5 cm³; (15) Molar Volume: 139.5 cm³; (16) Surface Tension: 45.4 dyne/cm; (17) Density: 1.26 g/cm³; (18) Flash Point: 144.5 °C; (19) Enthalpy of Vaporization: 59.21 kJ/mol; (20) Boiling Point: 347.8 °C at 760 mmHg; (21) Vapour Pressure: 5.27E-05 mmHg at 25 °C; (22) Melting Point: 123-125 °C.

Preparation of 2H-1-Benzopyran-2-one,4-methoxy-: this chemical can be prepared by 4-Methoxy-3-nitro-chromen-2-one. This reaction needs reagent Na₂S₂O₄, NaHCO₃ and solvent Methanol, H₂O. The yield is 28 %

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Uses of 2H-1-Benzopyran-2-one,4-methoxy-: it is used to produce other chemicals. For example, it is used to produce 3-Chloro-4-methoxy-coumarin. The reaction occurs with reagent Sulfuryl chloride and solvent CHCl₃. The yield is 79 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2Oc1ccccc1C(\OC)=C\2
(2) InChI: InChI=1/C10H8O3/c1-12-9-6-10(11)13-8-5-3-2-4-7(8)9/h2-6H,1H3
(3) InChIKey: MLCMXDYMSAZNPC-UHFFFAOYAL