p-Fluoronitrobenzene
TL;DR: p-Fluoronitrobenzene (CAS 350-46-9) 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-4-nitrobenzene
Also Known As: 4-Fluoronitrobenzene, 1-FLUORO-4-NITROBENZENE, p-Fluoronitrobenzene, p-Nitrofluorobenzene, 4-Nitrofluorobenzene
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4FNO2 |
| Molecular Weight | 141.02261 g/mol |
| XLogP | 1.8 |
| 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 | 126.0 |
| Melting Point | 27 °C |
| Boiling Point | 206-207 °C |
| Density | 1.3300 @ 20 °C/4 °C |
| Vapor Pressure | 0.29 [mmHg] |
| Refractive Index | MAX ABSORPTION (ALCOHOL): 212 NM (LOG E= 4.0); 263 NM (LOG E= 3.9); INDEX OF REFRACTION: 1.5316 @ 20 °C/D |
| Solubility | SOL IN ALCOHOL, ETHER; INSOL IN WATER |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])F |
| InChIKey | WFQDTOYDVUWQMS-UHFFFAOYSA-N |
Product Description
Applications: p-Fluoronitrobenzene 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).
p-Fluoronitrobenzene is a heterocyclic building block identified by CAS number 350-46-9 and the molecular formula C6H4FNO2 and a molecular weight of 141.02 g/mol. Physically, the compound has a density of 1.3300 @ 20 °C/4 °C g/cm³, a solubility: SOL IN ALCOHOL, ETHER; INSOL IN WATER. Synonyms include 4-Fluoronitrobenzene and 1-FLUORO-4-NITROBENZENE.
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 p-Fluoronitrobenzene
Property Insights of p-Fluoronitrobenzene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Fluoronitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, p-Fluoronitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Fluoronitrobenzene 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 p-Fluoronitrobenzene?
The CAS number of p-Fluoronitrobenzene is 350-46-9.
What is the molecular formula of p-Fluoronitrobenzene?
The molecular formula of p-Fluoronitrobenzene is C6H4FNO2.
What is the molecular weight of p-Fluoronitrobenzene?
The molecular weight of p-Fluoronitrobenzene is 141.02261 g/mol.
What are the applications of p-Fluoronitrobenzene?
p-Fluoronitrobenzene 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 p-Fluoronitrobenzene?
You can request a quote for p-Fluoronitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Fluoronitrobenzene?
Yes, CoreyChem provides custom synthesis services for p-Fluoronitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.