1-Fluoro-3-nitrobenzene
TL;DR: 1-Fluoro-3-nitrobenzene (CAS 402-67-5) is a chemical compound with molecular formula C6H4FNO2 and molecular weight 141.02261 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-3-nitrobenzene
Also Known As: 1-FLUORO-3-NITROBENZENE, 3-Fluoronitrobenzene, m-Fluoronitrobenzene, m-Nitrofluorobenzene, Benzene, 1-fluoro-3-nitro-
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4FNO2 |
| Molecular Weight | 141.02261 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.02261 Da |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
| SMILES | C1=CC(=CC(=C1)F)[N+](=O)[O-] |
| InChIKey | WMASLRCNNKMRFP-UHFFFAOYSA-N |
Product Description
Applications: 1-Fluoro-3-nitrobenzene 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. CoreyChem supplies 1-Fluoro-3-nitrobenzene (CAS 402-67-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Fluoro-3-nitrobenzene (CAS 402-67-5) is a heterocyclic building block with the molecular formula C6H4FNO2 and a molecular weight of 141.02 g/mol. It is also known as 1-FLUORO-3-NITROBENZENE and 3-Fluoronitrobenzene.
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 1-Fluoro-3-nitrobenzene
Property Insights of 1-Fluoro-3-nitrobenzene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-3-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Fluoro-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-3-nitrobenzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Fluoro-3-nitrobenzene?
The CAS number of 1-Fluoro-3-nitrobenzene is 402-67-5.
What is the molecular formula of 1-Fluoro-3-nitrobenzene?
The molecular formula of 1-Fluoro-3-nitrobenzene is C6H4FNO2.
What is the molecular weight of 1-Fluoro-3-nitrobenzene?
The molecular weight of 1-Fluoro-3-nitrobenzene is 141.02261 g/mol.
What are the applications of 1-Fluoro-3-nitrobenzene?
1-Fluoro-3-nitrobenzene 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. CoreyChem supplies 1-Fluoro-3-nitrobenzene (CAS...
Where can I buy 1-Fluoro-3-nitrobenzene?
You can request a quote for 1-Fluoro-3-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Fluoro-3-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Fluoro-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.