Benzenamine, 2-nitro-4-(trifluoromethyl)-
TL;DR: Benzenamine, 2-nitro-4-(trifluoromethyl)- (CAS 400-98-6) is a chemical compound with molecular formula C7H5F3N2O2 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(trifluoromethyl)aniline
Also Known As: 2-Nitro-4-(trifluoromethyl)aniline, 4-Amino-3-nitrobenzotrifluoride, Benzenamine, 2-nitro-4-(trifluoromethyl)-, 2-Nitro-4-trifluoromethylaniline, Aniline, 2-nitro-4-trifluoromethyl-
| Molecular Formula | C7H5F3N2O2 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.03032 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 400-98-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N |
| InChIKey | ATXBGHLILIABGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 2-nitro-4-(trifluoromethyl)- (CAS 400-98-6), with molecular formula C7H5F3N2O2 and molecular weight 206.03 g/mol. IUPAC: 2-nitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of Benzenamine, 2-nitro-4-(trifluoromethyl)-
Property Insights of Benzenamine, 2-nitro-4-(trifluoromethyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 2-nitro-4-(trifluoromethyl)-. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 2-nitro-4-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzenamine, 2-nitro-4-(trifluoromethyl)- 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
Frequently Asked Questions
What is the CAS number of Benzenamine, 2-nitro-4-(trifluoromethyl)-?
The CAS number of Benzenamine, 2-nitro-4-(trifluoromethyl)- is 400-98-6.
What is the molecular formula of Benzenamine, 2-nitro-4-(trifluoromethyl)-?
The molecular formula of Benzenamine, 2-nitro-4-(trifluoromethyl)- is C7H5F3N2O2.
What is the molecular weight of Benzenamine, 2-nitro-4-(trifluoromethyl)-?
The molecular weight of Benzenamine, 2-nitro-4-(trifluoromethyl)- is 206.03 g/mol.
Where can I buy Benzenamine, 2-nitro-4-(trifluoromethyl)-?
You can request a quote for Benzenamine, 2-nitro-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2-nitro-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2-nitro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.