2-Nitro-4,5-bis(trifluoromethyl)aniline
TL;DR: 2-Nitro-4,5-bis(trifluoromethyl)aniline (CAS 35010-32-3) is a chemical compound with molecular formula C8H4F6N2O2 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4,5-bis(trifluoromethyl)aniline
Also Known As: 2-nitro-4,5-bis(trifluoromethyl)aniline, 2-Nitro-4,5-bis-trifluoromethyl-phenylamine, 2-Nitro-4,5-bis(trifluoromethyl)benzenamine, 2-Nitro-4,5-bis benzenamine, 3-<4-Carboxy-phenoxy>-propionsaeure
| Molecular Formula | C8H4F6N2O2 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.2146 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.0177 |
| Heavy Atoms | 18 |
| Complexity | 493.58615 |
Chemical Identifiers
| CAS Number | 35010-32-3 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)[N+](=O)[O-])C(F)(F)F)C(F)(F)F |
Product Overview
2-Nitro-4,5-bis(trifluoromethyl)aniline (CAS 35010-32-3), with molecular formula C8H4F6N2O2 and molecular weight 274.02 g/mol. IUPAC: 2-nitro-4,5-bis(trifluoromethyl)aniline.
Chemical Property Profile of 2-Nitro-4,5-bis(trifluoromethyl)aniline
Property Insights of 2-Nitro-4,5-bis(trifluoromethyl)aniline
The XLogP value of 3.2146 indicates that 2-Nitro-4,5-bis(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-4,5-bis(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 2-Nitro-4,5-bis(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 3 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-Nitro-4,5-bis(trifluoromethyl)aniline?
The CAS number of 2-Nitro-4,5-bis(trifluoromethyl)aniline is 35010-32-3.
What is the molecular formula of 2-Nitro-4,5-bis(trifluoromethyl)aniline?
The molecular formula of 2-Nitro-4,5-bis(trifluoromethyl)aniline is C8H4F6N2O2.
What is the molecular weight of 2-Nitro-4,5-bis(trifluoromethyl)aniline?
The molecular weight of 2-Nitro-4,5-bis(trifluoromethyl)aniline is 274.02 g/mol.
Where can I buy 2-Nitro-4,5-bis(trifluoromethyl)aniline?
You can request a quote for 2-Nitro-4,5-bis(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4,5-bis(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4,5-bis(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.