2,3,4,5-Tetrafluoronitrobenzene
TL;DR: 2,3,4,5-Tetrafluoronitrobenzene (CAS 5580-79-0) is a chemical compound with molecular formula C6HF4NO2 and molecular weight 194.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrafluoro-5-nitrobenzene
Also Known As: 2,3,4,5-Tetrafluoronitrobenzene, 1,2,3,4-Tetrafluoro-5-nitrobenzene, Benzene, tetrafluoronitro-, 1-nitro-2,3,4,5-tetrafluorobenzene, 1,2,3,4-tetrafluor-5-nitrobenzol
| Molecular Formula | C6HF4NO2 |
|---|---|
| Molecular Weight | 194.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.99434 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 5580-79-0 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1F)F)F)F)[N+](=O)[O-] |
| InChIKey | MKMDVNZEIQDZEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-Tetrafluoronitrobenzene (CAS 5580-79-0), with molecular formula C6HF4NO2 and molecular weight 194.99 g/mol. IUPAC: 1,2,3,4-tetrafluoro-5-nitrobenzene.
Chemical Property Profile of 2,3,4,5-Tetrafluoronitrobenzene
Property Insights of 2,3,4,5-Tetrafluoronitrobenzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetrafluoronitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 2,3,4,5-Tetrafluoronitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetrafluoronitrobenzene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,4,5-Tetrafluoronitrobenzene?
The CAS number of 2,3,4,5-Tetrafluoronitrobenzene is 5580-79-0.
What is the molecular formula of 2,3,4,5-Tetrafluoronitrobenzene?
The molecular formula of 2,3,4,5-Tetrafluoronitrobenzene is C6HF4NO2.
What is the molecular weight of 2,3,4,5-Tetrafluoronitrobenzene?
The molecular weight of 2,3,4,5-Tetrafluoronitrobenzene is 194.99 g/mol.
Where can I buy 2,3,4,5-Tetrafluoronitrobenzene?
You can request a quote for 2,3,4,5-Tetrafluoronitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetrafluoronitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrafluoronitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.