2H-1-Benzopyran-2-one,6-methoxy-4-methyl- supplier

Name
6-METHOXY-4-METHYLCOUMARIN
EINECS
CAS No. 6295-35-8
Article Data33
CAS DataBase
Density 1.195 g/cm³
Solubility
Melting Point 163-167 °C (lit. )
Formula C₁₁H₁₀O₃
Boiling Point 351.6 °C at 760 mmHg
Molecular Weight 190.199
Flash Point 146.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Coumarin,6-methoxy-4-methyl- (6CI,7CI,8CI);6-Methoxy-4-methylcoumarin;NSC 11841;
PSA 39.44000
LogP 2.11000

2H-1-Benzopyran-2-one,6-methoxy-4-methyl- Specification

The 2H-1-Benzopyran-2-one, 6-methoxy-4-methyl-, with the CAS registry number of 6295-35-8, is also known as 4-methyl-6-methoxycoumarin and Aurora KA-3744. This chemical's molecular formula is C₁₁H₁₀O₃ and molecular weight is 190.2. What's more, its IUPAC name is 6-Methoxy-4-methylchromen-2-one.

Physical properties about are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 51.14 cm³; (9)Molar Volume: 159 cm³; (10)Polarizability: 20.27×10^-24 cm³; (11)Surface Tension: 40.2 dyne/cm; (12)Density: 1.195 g/cm³; (13)Flash Point: 146.3 °C; (14)Enthalpy of Vaporization: 59.64 kJ/mol; (15)Boiling Point: 351.6 °C at 760 mmHg; (16)Melting Point: 163-167 °C (lit. ); (17)Vapour Pressure: 4.05E-05 mmHg at 25°C.

Uses: it is used to produce other chemicals. For example, it is used to produce 6-Methoxy-4-methyl-5-nitro-coumarin and 6-Methoxy-4-methyl-7-nitro-chromen-2-one. The reaction needs reagent Ceruim(IV) ammonium nitrate and solvent Acetonitrile. The reaction time is 20 hours with reaction temperature of 100 °C. The yield is about 64%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2Oc1ccc(OC)cc1\C(=C\2)C
(2) InChI: InChI=1/C11H10O3/c1-7-5-11(12)14-10-4-3-8(13-2)6-9(7)10/h3-6H,1-2H3
(3) InChIKey: KNGPIBWCWOQBEK-UHFFFAOYAR

Product Name

6-METHOXY-4-METHYLCOUMARIN

2H-1-Benzopyran-2-one,6-methoxy-4-methyl- Specification

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