Furfural
TL;DR: Furfural (CAS 98-01-1) is a chemical compound with molecular formula C5H4O2 and molecular weight 96.021126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
furan-2-carbaldehyde
Also Known As: FURFURAL, 2-Furaldehyde, furan-2-carbaldehyde, Furaldehyde, Furfuraldehyde
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H4O2 |
| Molecular Weight | 96.021126 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.021126 Da |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
| Purity | ≥98% |
| Melting Point | -33.7 °F (NTP, 1992) |
| Boiling Point | 323.1 °F at 760 mmHg (NTP, 1992) |
| Density | 1.159 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 140 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 68 °F ; 3 mmHg at 86 °F; 10 mmHg at 122 °F (NTP, 1992) |
| Refractive Index | Index of refraction = 1.5261 at 20 °C/D |
| Solubility | 50 to 100 mg/mL at 64 °F (NTP, 1992) |
| SMILES | C1=COC(=C1)C=O |
| InChIKey | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
Product Description
Applications: Furfural is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Typical specifications: commercial lots are supplied at ≥98%. CoreyChem supplies Furfural (CAS 98-01-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Furfural is a heterocyclic building block identified by CAS number 98-01-1 and the molecular formula C5H4O2 and a molecular weight of 96.02 g/mol. Physically, the compound has a density of 1.159 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: 50 to 100 mg/mL at 64 °F (NTP, 1992). It is also known as FURFURAL and 2-Furaldehyde.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H226, H301, H312, H315, H319, H330, H335, H351, H412
Chemical Property Profile of Furfural
Property Insights of Furfural
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furfural. With a topological polar surface area (TPSA) of 30.2 Ų, Furfural exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfural has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Furfural?
The CAS number of Furfural is 98-01-1.
What is the molecular formula of Furfural?
The molecular formula of Furfural is C5H4O2.
What is the molecular weight of Furfural?
The molecular weight of Furfural is 96.021126 g/mol.
What are the applications of Furfural?
Furfural is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Typical specifications: commercial lots are supplied at ≥98%....
Where can I buy Furfural?
You can request a quote for Furfural directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Furfural?
Yes, CoreyChem provides custom synthesis services for Furfural and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.