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| CAS No.: | 7169-37-1 |
|---|---|
| Name: | 7-METHOXY-3(2H)-BENZOFURANONE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C9H8O3 |
| Molecular Weight: | 164.161 |
| Synonyms: | 3(2H)-Benzofuranone, 7-methoxy-; |
| Density: | 1.262 g/cm3 |
| Melting Point: | 82-86 °C(lit.) |
| Boiling Point: | 300.8 °C at 760 mmHg |
| Flash Point: | 126.6 °C |
| PSA: | 35.53000 |
| LogP: | 1.27030 |
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- Total:24 Page 1 of 1 1
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Specification
The 7-Methoxy-2,3-dihydrobenzo[b]furan-3-one, with the CAS registry number of 7169-37-1, is also known as 3(2H)-Benzofuranone, 7-methoxy-. It belongs to the product categories of Benzofurans; Building Blocks; Heterocyclic Building Blocks. Its molecular formula is C9H8O3 and molecular weight is 164.16. What's more, its systematic name is 7-Methoxy-1-benzofuran-3(2H)-one.
Physical properties about the 7-Methoxy-2,3-dihydrobenzo[b]furan-3-one are: (1)ACD/LogP: 1.59; (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: 1.562; (8)Molar Refractivity: 42.22 cm3; (9)Molar Volume: 130 cm3; (10)Surface Tension: 44.8 dyne/cm; (11)Density: 1.262 g/cm3; (12)Flash Point: 126.6 °C; (13)Enthalpy of Vaporization: 54.09 kJ/mol; (14)Boiling Point: 300.8 °C at 760 mmHg; (15)Vapour Pressure: 0.00109 mmHg at 25 °C.
Preparation: this chemical can be obtained by 7-Methoxy-3-acetoxybenzofuran. The reaction needs reagent HCl and solvent Methanol. The reaction time is 3.5 h with reaction temperature of 75 °C. The yield is about 79 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2cccc(OC)c2OC1
(2) InChI: InChI=1/C9H8O3/c1-11-8-4-2-3-6-7(10)5-12-9(6)8/h2-4H,5H2,1H3
(3) InChIKey: QSJBSTJSAZCHSA-UHFFFAOYAX