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| CAS No.: | 2745-26-8 |
|---|---|
| Name: | furan-2-acetic acid |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C6H6O3 |
| Molecular Weight: | 126.112 |
| Synonyms: | 2-(2-Furyl)aceticacid;2-Furanylacetic acid;2-Furylacetic acid;Furan-2-yl-acetic acid; |
| EINECS: | 220-380-3 |
| Density: | 1.265 g/cm3 |
| Melting Point: | 68.5 ºC |
| Boiling Point: | 233.8 °C at 760 mmHg |
| Flash Point: | 95.2 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| PSA: | 50.44000 |
| LogP: | 0.90670 |
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Specification
The 2-Furanacetic acid, with the CAS registry number 2745-26-8, is also known as Furan-2-yl-acetic acid. Its EINECS number is 220-380-3. This chemical's molecular formula is C6H6O3 and molecular weight is 126.11. What's more, its systematic name is furan-2-ylacetic acid.
Physical properties of 2-Furanacetic acid are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.69; (4)ACD/LogD (pH 7.4): -2.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 29.66 cm3; (15)Molar Volume: 99.6 cm3; (16)Polarizability: 11.76×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 95.2 °C; (20)Enthalpy of Vaporization: 49.72 kJ/mol; (21)Boiling Point: 233.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0304 mmHg at 25°C.
Preparation: this chemical can be prepared by furan-2-yl-acetonitrile by heating. This reaction will need reagent KOH with the reaction time of 5 hours. The yield is about 95%.
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Uses of 2-Furanacetic acid: it can be used to produce 2-furan-2-yl-acetamide by irradiation. It will need reagents NH4HCO3, HCONH2 with the reaction time of 6 min. The yield is about 75%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1occc1
(2)InChI: InChI=1S/C6H6O3/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
(3)InChIKey: VYSRZETUSAOIMP-UHFFFAOYSA-N