1-Nitro-4-(trifluoromethoxy)benzene
TL;DR: 1-Nitro-4-(trifluoromethoxy)benzene (CAS 1246818-41-6) is a chemical compound with molecular formula C7H4F3NO3 and molecular weight 207.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(trifluoromethoxy)benzene
Also Known As: 1-Nitro-4-(trifluoromethoxy)benzene, 4-(Trifluoromethoxy)nitrobenzene, p-nitrotrifluoroanisole, Riluzole impurity 21, 4- NITROBENZENE
| Molecular Formula | C7H4F3NO3 |
|---|---|
| Molecular Weight | 207.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.01433 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 1246818-41-6 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(F)(F)F |
| InChIKey | UBEIKVUMDBCCRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-(trifluoromethoxy)benzene (CAS 1246818-41-6), with molecular formula C7H4F3NO3 and molecular weight 207.01 g/mol. IUPAC: 1-nitro-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 1-Nitro-4-(trifluoromethoxy)benzene
Property Insights of 1-Nitro-4-(trifluoromethoxy)benzene
The XLogP value of 3.2 indicates that 1-Nitro-4-(trifluoromethoxy)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, 1-Nitro-4-(trifluoromethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-(trifluoromethoxy)benzene 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 1-Nitro-4-(trifluoromethoxy)benzene?
The CAS number of 1-Nitro-4-(trifluoromethoxy)benzene is 1246818-41-6.
What is the molecular formula of 1-Nitro-4-(trifluoromethoxy)benzene?
The molecular formula of 1-Nitro-4-(trifluoromethoxy)benzene is C7H4F3NO3.
What is the molecular weight of 1-Nitro-4-(trifluoromethoxy)benzene?
The molecular weight of 1-Nitro-4-(trifluoromethoxy)benzene is 207.01 g/mol.
Where can I buy 1-Nitro-4-(trifluoromethoxy)benzene?
You can request a quote for 1-Nitro-4-(trifluoromethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-(trifluoromethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(trifluoromethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.