2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene
TL;DR: 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene (CAS 28202-30-4) is a chemical compound with molecular formula C9H7F4NO3 and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene
Also Known As: 2-methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene, 2-Tetrafluoroethoxy-5-nitrotoluene, 2-(1,1,2,2-Tetrafluoroethoxy)-5-nitrotoluene, Benzene,2-methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)-, 2-(1,1,2,2-Tetrafluoroethoxy)-5-nitrotoluen
| Molecular Formula | C9H7F4NO3 |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.03621 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 28202-30-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])OC(C(F)F)(F)F |
| InChIKey | JHPMFMSCHNLTQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene (CAS 28202-30-4), with molecular formula C9H7F4NO3 and molecular weight 253.04 g/mol. IUPAC: 2-methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene.
Chemical Property Profile of 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene
Property Insights of 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene
The XLogP value of 3.7 indicates that 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene has 0 hydrogen bond donor(s) and 7 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-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene?
The CAS number of 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene is 28202-30-4.
What is the molecular formula of 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene?
The molecular formula of 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene is C9H7F4NO3.
What is the molecular weight of 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene?
The molecular weight of 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene is 253.04 g/mol.
Where can I buy 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene?
You can request a quote for 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-nitro-1-(1,1,2,2-tetrafluoroethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.