3-Furoic acid
FURAN-3-CARBOXYLIC ACID · 3-FURANCARBOXYLIC ACID · 3-FUROIC ACID · 3-Furioc Acid · 3-Carboxyfuran · 3-Furanoic acid · 3-Furoicacid,99% · 3-FUROIC ACID 99%
Identifiers & Physical Properties
| CAS No. | 488-93-7 |
|---|---|
| Molecular formula | C5H4O3 |
| Average molar mass | 112.08 g/mol |
| Monoisotopic mass | 112.01604399 g/mol |
| SMILES | O=C(O)c1ccoc1 |
| InChIKey | IHCCAYCGZOLTEU-UHFFFAOYSA-N |
| PubChem CID | 10268 |
| ChEBI | CHEBI:30846 |
| EC No. | 207-689-9 |
| DTXSID | DTXSID50197611 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 50.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 99.8 |
| SpringerMaterials Properties | Chemical shift |
| LogP (partition coefficient) | 1.03 |
| Solubility | 64 mg/mLDMSO (Slightly), Methanol (Slightly)insoluble |
| Melting point | 120 - 122 °C120-122 °C (lit.) |
| Physical Description | Solid |
| Boiling point | 229.64°C |
| Density | 1.3220 |
| Refractive index | 1.4710 (estimate) |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | Solid |
| pKa (acidity coefficient) | 3.9(at 25℃) |
| Color | Off-White to Beige |
| BRN | 108638 |
| InChI | 1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
| InChIKey | IHCCAYCGZOLTEU-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccoc1 |
| LogP (partition coefficient) | 1.030 |
| CAS DataBase Reference | 488-93-7(CAS DataBase Reference) |
| FDA UNII | 88A3S7RG98 |
| NIST Chemistry Reference | 3-Furancarboxylic acid(488-93-7) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P302+P352-P305+P351+P338 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi,C |
| Risk statements (R) | 36/37/38-34 |
| Safety statements (S) | 26-36/37-45-36/37/39-36 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Customs code | 29321900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | 3-Furancarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29321900 |
| Risk statements (R) | 36/37/38-34 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,C |
| Safety statements (S) | 26-36/37-45-36/37/39-36 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P302+P352-P305+P351+P338 |
Applications & Uses
Description
3-Furoic acid, also known as 3-carboxyfuran or 3-furoate, belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. 3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. It is used in synthesis of furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction. It exhibits hypolipidemic activity in rodents. It lowers serum cholesterol and serum triglyceride levels in mice and rats.
Uses
3-Furoic acid can be used as a reactant to synthesize:Furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction.(±)-Hyperolactone A by reacting with 2-methylbutanal.Furo[2,3-b]pyridin-4-one-5-carboxylate ester derivatives as potential non-nucleoside inhibitors of human herpesvirus polymerases.
Uses
3-Furoic acid is used in synthesis of furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction. It exhibits hypolipidemic activity in rodents. It lowers serum cholesterol and serum triglyceride levels in mice and rats.
Uses
3-Furoic acid can be used as a reactant to synthesize: Furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction. (±)-Hyperolactone A by reacting with 2-methylbutanal.Furo[2,3-b]pyridin-4-one-5-carboxylate ester derivatives as potential non-nucleoside inhibitors of human herpesvirus polymerases.