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2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester

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Name

2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester

EINECS N/A
CAS No. 50551-58-1 Density 1.192 g/cm3
PSA 48.67000 LogP 2.61810
Solubility N/A Melting Point 85-90 °C
Formula C12H12O4 Boiling Point 316.2 °C at 760 mmHg
Molecular Weight 220.225 Flash Point 145 °C
Transport Information N/A Appearance yellow crystals
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 50551-58-1 (ETHYL 7-METHOXYBENZOFURAN-2-CARBOXYLATE) Hazard Symbols N/A
Synonyms

2-Ethoxycarbonyl-7-methoxybenzofuran;7-Methoxy-2-benzofurancarboxylic acid ethyl ester;Ethyl 7-methoxycoumarilate;7-Methoxybenzofuran-2-carboxylic acid ethyl ester;

Article Data 13

2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester Specification

The 2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester, with the CAS registry number 50551-58-1, is also known as 7-Methoxybenzo[b]furan-2-carboxylic acid ethyl ester. This chemical's molecular formula is C12H12O4 and molecular weight is 220.2213. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 7-methoxy-1-benzofuran-2-carboxylate. It is yellow crystals and when you are dealing with this chemical, you should avoid contacting with skin and eyes.

Physical properties about 2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester are: (1)ACD/LogP: 2.87; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.28; (6)ACD/BCF (pH 7.4): 89.28; (7)ACD/KOC (pH 5.5): 866.85; (8)ACD/KOC (pH 7.4): 866.85; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48.67 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 59.47 cm3; (15)Molar Volume: 184.7 cm3; (16)Polarizability: 23.57×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 145 °C; (20)Enthalpy of Vaporization: 55.75 kJ/mol; (21)Boiling Point: 316.2 °C at 760 mmHg; (22)Melting Point: 85-90 °C; (23)Vapour Pressure: 0.000418 mmHg at 25 °C.

Preparation of 2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester: this chemical can be prepared by (2-Formyl-6-methoxy-phenoxy)-acetic acid ethyl ester. This reaction needs reagent P(MeNCH2CH2)3N and solvent Ethanol at temperature of 70 °C. The reaction time is 3 hours. The yield is 98%.

2-Benzofurancarboxylicacid, 7-methoxy-, ethyl ester can be prepared by (2-Formyl-6-methoxy-phenoxy)-acetic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c2oc1c(OC)cccc1c2
(2) InChI: InChI=1/C12H12O4/c1-3-15-12(13)10-7-8-5-4-6-9(14-2)11(8)16-10/h4-7H,3H2,1-2H3
(3) InChIKey: SXCMZYVXJUJIDJ-UHFFFAOYAB

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