2,4-Difluoronitrobenzene
TL;DR: 2,4-Difluoronitrobenzene (CAS 446-35-5) is a chemical compound with molecular formula C6H3F2NO2 and molecular weight 159.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-difluoro-1-nitrobenzene
Also Known As: 2,4-Difluoronitrobenzene, 2,4-Difluoro-1-nitrobenzene, 1-Nitro-2,4-difluorobenzene, 1,3-Difluoro-4-nitrobenzene, Benzene, 2,4-difluoro-1-nitro-
| Molecular Formula | C6H3F2NO2 |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.01318 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 446-35-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)[N+](=O)[O-] |
| InChIKey | RJXOVESYJFXCGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Difluoronitrobenzene (CAS 446-35-5), with molecular formula C6H3F2NO2 and molecular weight 159.01 g/mol. IUPAC: 2,4-difluoro-1-nitrobenzene.
Chemical Property Profile of 2,4-Difluoronitrobenzene
Property Insights of 2,4-Difluoronitrobenzene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Difluoronitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 2,4-Difluoronitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Difluoronitrobenzene has 0 hydrogen bond donor(s) and 4 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 2,4-Difluoronitrobenzene?
The CAS number of 2,4-Difluoronitrobenzene is 446-35-5.
What is the molecular formula of 2,4-Difluoronitrobenzene?
The molecular formula of 2,4-Difluoronitrobenzene is C6H3F2NO2.
What is the molecular weight of 2,4-Difluoronitrobenzene?
The molecular weight of 2,4-Difluoronitrobenzene is 159.01 g/mol.
Where can I buy 2,4-Difluoronitrobenzene?
You can request a quote for 2,4-Difluoronitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Difluoronitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Difluoronitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.