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| CAS No.: | 39786-35-1 |
|---|---|
| Name: | ETHYL 3-AMINOBENZOFURAN-2-CARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C11H11NO3 |
| Molecular Weight: | 205.213 |
| Synonyms: | 3-Amino-2-benzofurancarboxylicacid ethyl ester;3-Amino-2-ethoxycarbonylbenzofuran;Ethyl 3-amino-2-benzo[b]furancarboxylate;Ethyl 3-amino-2-benzofurancarboxylate; |
| Density: | 1.258 g/cm3 |
| Melting Point: | 77-81 °C(lit.) |
| Boiling Point: | 330.1 °C at 760 mmHg |
| Flash Point: | 153.5 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 24/25 |
| PSA: | 65.46000 |
| LogP: | 2.77290 |
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Specification
The 2-Benzofurancarboxylicacid, 3-amino-, ethyl ester is an organic compound with the formula C11H11NO3. The IUPAC name of this chemical is ethyl 3-amino-1-benzofuran-2-carboxylate. With the CAS registry number 39786-35-1, it is also named as 3-Aminobenzo[b]furan-2-carboxylic acid ethyl ester. The product's categories are Aromatic Esters; Benzofurans; Building Blocks; Heterocyclic Building Blocks. Besides, it should be stored in a closed cool and dry place.
Physical properties about 2-Benzofurancarboxylicacid, 3-amino-, ethyl ester are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 93.64; (5)ACD/BCF (pH 7.4): 93.65; (6)ACD/KOC (pH 5.5): 896.97; (7)ACD/KOC (pH 7.4): 897.04; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 42.68 Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 57.03 cm3; (14)Molar Volume: 163 cm3; (15)Polarizability: 22.61×10-24cm3; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.258 g/cm3; (18)Flash Point: 153.5 °C; (19)Enthalpy of Vaporization: 57.27 kJ/mol; (20)Boiling Point: 330.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00017 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2oc1ccccc1c2N
(2)InChI: InChI=1/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3
(3)InChIKey: PWOARNMOPCOJEV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3
(5)Std. InChIKey: PWOARNMOPCOJEV-UHFFFAOYSA-N