Benzofuran
TL;DR: Benzofuran (CAS 271-89-6) is a chemical compound with molecular formula C8H6O and molecular weight 118.04186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzofuran
Also Known As: 2,3-Benzofuran, Coumarone, 1-Benzofuran, Benzo[b]furan, Cumarone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6O |
| Molecular Weight | 118.04186 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.04186 Da |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
| Melting Point | less than -0.4 °F (NTP, 1992) |
| Boiling Point | 345 °F at 760 mmHg (NTP, 1992) |
| Density | 1.078 at 59 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 133 °F (NTP, 1992) |
| Vapor Pressure | 14.3 mmHg at 77 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.56897 @ 16.93 °C/D; 1.565 @ 22.7 °C/D |
| Solubility | 0.1 to 1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | C1=CC=C2C(=C1)C=CO2 |
| InChIKey | IANQTJSKSUMEQM-UHFFFAOYSA-N |
Product Description
Applications: Benzofuran 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Benzofuran (CAS 271-89-6) has the molecular formula C8H6O and a molecular weight of 118.04 g/mol. Reported properties include a density of 1.078 at 59 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: 0.1 to 1 mg/mL at 64 °F (NTP, 1992). Synonyms include 2,3-Benzofuran and Coumarone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzofuran
Property Insights of Benzofuran
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofuran. With a topological polar surface area (TPSA) of 13.1 Ų, Benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzofuran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzofuran?
The CAS number of Benzofuran is 271-89-6.
What is the molecular formula of Benzofuran?
The molecular formula of Benzofuran is C8H6O.
What is the molecular weight of Benzofuran?
The molecular weight of Benzofuran is 118.04186 g/mol.
What are the applications of Benzofuran?
Benzofuran 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. Available from CoreyChem as both catalog item and...
Where can I buy Benzofuran?
You can request a quote for Benzofuran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzofuran?
Yes, CoreyChem provides custom synthesis services for Benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.