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7-Methoxy-2,3-dihydrobenzo[b]furan-3-one

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Name

7-Methoxy-2,3-dihydrobenzo[b]furan-3-one

EINECS N/A
CAS No. 7169-37-1 Density 1.262 g/cm3
PSA 35.53000 LogP 1.27030
Solubility N/A Melting Point 82-86 °C(lit.)
Formula C9H8O3 Boiling Point 300.8 °C at 760 mmHg
Molecular Weight 164.161 Flash Point 126.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7169-37-1 (7-METHOXY-3(2H)-BENZOFURANONE) Hazard Symbols N/A
Synonyms

3(2H)-Benzofuranone, 7-methoxy-;

Article Data 11

7-Methoxy-2,3-dihydrobenzo[b]furan-3-one 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 %.

The 4-Fluoro-3-Benzofuranone can be obtained by 7-Methoxy-3-acetoxybenzofuran

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

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