4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine
TL;DR: 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine (CAS 121-01-7) is a chemical compound with molecular formula C7H5F3N2O2 and molecular weight 206.03032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitro-2-(trifluoromethyl)aniline
Also Known As: 2-Amino-5-nitrobenzotrifluoride, 4-Nitro-2-(trifluoromethyl)aniline, 4-Nitro-2-trifluoromethylaniline, 2-Amino-5-nitro-trifluorobenzene, 4-Nitro-a,a,a-trifluoro-o-toluidine
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5F3N2O2 |
| Molecular Weight | 206.03032 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.03032 Da |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N |
| InChIKey | HOTZLWVITTVZGY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine
Property Insights of 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine. Following Lipinski's Rule of Five, 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine?
The CAS number of 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine is 121-01-7.
What is the molecular formula of 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine?
The molecular formula of 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine is C7H5F3N2O2.
What is the molecular weight of 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine?
The molecular weight of 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine is 206.03032 g/mol.
Where can I buy 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine?
You can request a quote for 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.