4-(Trifluoromethyl)-2-methyl-1-nitrobenzene
TL;DR: 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene (CAS 6719-02-4) is a chemical compound with molecular formula C8H6F3NO2 and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitro-4-(trifluoromethyl)benzene
Also Known As: 3-Methyl-4-nitrobenzotrifluoride, 2-methyl-1-nitro-4-(trifluoromethyl)benzene, 2-Bromo-3-chloropyridine, 2-nitro-5-trifluoromethyltoluene, 2-Methyl-3-nitrobenzotrifluoride
| Molecular Formula | C8H6F3NO2 |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.03506 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 6719-02-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | PCCXJSOGGOWRJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethyl)-2-methyl-1-nitrobenzene (CAS 6719-02-4), with molecular formula C8H6F3NO2 and molecular weight 205.04 g/mol. IUPAC: 2-methyl-1-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene
Property Insights of 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene
The XLogP value of 3.0 indicates that 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene has 0 hydrogen bond donor(s) and 5 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 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene?
The CAS number of 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene is 6719-02-4.
What is the molecular formula of 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene?
The molecular formula of 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene is C8H6F3NO2.
What is the molecular weight of 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene?
The molecular weight of 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene is 205.04 g/mol.
Where can I buy 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene?
You can request a quote for 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.