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| CAS No.: | 3199-61-9 |
|---|---|
| Name: | 2-BENZOFURANCARBOXYLIC ACID, ETHYL ESTER |
| Molecular Structure: | |
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|
|
| Formula: | C11H10O3 |
| Molecular Weight: | 190.199 |
| Synonyms: | Ethyl2-benzofurancarboxylate;Ethyl coumarilate; |
| Density: | 1.183 g/cm3 |
| Melting Point: | 166-170℃ |
| Boiling Point: | 274 °C at 760 mmHg |
| Flash Point: | 119.5 °C |
| Hazard Symbols: |
 T
|
| PSA: | 39.44000 |
| LogP: | 2.60950 |
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Specification
The CAS register number of 2-Benzofurancarboxylicacid, ethyl ester is 3199-61-9. It also can be called as Ethyl 2-benzofurancarboxylate and the systematic name about this chemical is ethyl 1-benzofuran-2-carboxylate. The molecular formula about this chemical is C11H10O3 and the molecular weight is 190.2. It belongs to the Miscellaneous.
Physical properties about 2-Benzofurancarboxylicacid, ethyl ester are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 3.05; (3)ACD/LogD (pH 7.4): 3.05; (4)ACD/BCF (pH 5.5): 123.33; (5)ACD/BCF (pH 7.4): 123.33; (6)ACD/KOC (pH 5.5): 1092.41; (7)ACD/KOC (pH 7.4): 1092.41; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 39.44Å2; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 52.8 cm3; (13)Molar Volume: 160.7 cm3; (14)Polarizability: 20.93x10-24cm3; (15)Surface Tension: 42.2 dyne/cm; (16)Enthalpy of Vaporization: 51.24 kJ/mol; (17)Boiling Point: 274 °C at 760 mmHg; (18)Vapour Pressure: 0.00554 mmHg at 25°C.
Preparation: this chemical can be prepared by (2-formyl-phenoxy)-acetic acid ethyl ester. This reaction will need reagent P(MeNCH2CH2)3N and solvent ethanol. The reaction time is 3 hour(s) with reaction temperature of 70 °C. The yield is about 99%.
Uses of 2-Benzofurancarboxylicacid, ethyl ester: it can be used to produce 3-benzofuran-2-yl-3-oxo-propionic acid ethyl ester with acetic acid ethyl ester at heating. This reaction will need reagent Na and solvent ethanol with reaction time of 2 hours. The yield is about 70%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2oc1ccccc1c2
(2)InChI: InChI=1/C11H10O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3
(3)InChIKey: KAWQPOUWLVOHKU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H10O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3
(5)Std. InChIKey: KAWQPOUWLVOHKU-UHFFFAOYSA-N