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2H-1-Benzopyran-2-one,4-methoxy-

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Name

2H-1-Benzopyran-2-one,4-methoxy-

EINECS N/A
CAS No. 20280-81-3 Density 1.26 g/cm3
PSA 39.44000 LogP 1.80160
Solubility N/A Melting Point 123-125 °C
Formula C10H8O3 Boiling Point 347.8 °C at 760 mmHg
Molecular Weight 176.172 Flash Point 144.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 20280-81-3 (4-METHOXYCOUMARIN) Hazard Symbols IrritantXi
Synonyms

Coumarin,4-methoxy- (6CI,7CI,8CI);4-Methoxycoumarin;

Article Data 2

2H-1-Benzopyran-2-one,4-methoxy- Specification

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 %

.

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

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