2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline
TL;DR: 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline (CAS 1869-67-6) is a chemical compound with molecular formula C13H8F3N3O4 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-[3-(trifluoromethyl)phenyl]aniline
Also Known As: 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline, 2,4-dinitro-N-[3-(trifluoromethyl)phenyl]aniline, UPCMLD0ENAT0518-4949:001, 2,4-DINITRO-3'-(TRIFLUOROMETHYL)DIPHENYLAMINE, J1.552.724B
| Molecular Formula | C13H8F3N3O4 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.0467 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 1869-67-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F |
| InChIKey | YXUQXJASUOZRHT-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline (CAS 1869-67-6), with molecular formula C13H8F3N3O4 and molecular weight 327.05 g/mol. IUPAC: 2,4-dinitro-N-[3-(trifluoromethyl)phenyl]aniline.
Chemical Property Profile of 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline
Property Insights of 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline
The XLogP value of 4.6 indicates that 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline. Following Lipinski's Rule of Five, 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline has 1 hydrogen bond donor(s) and 8 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 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline?
The CAS number of 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline is 1869-67-6.
What is the molecular formula of 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline?
The molecular formula of 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline is C13H8F3N3O4.
What is the molecular weight of 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline?
The molecular weight of 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline is 327.05 g/mol.
Where can I buy 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline?
You can request a quote for 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-N-(3-(trifluoromethyl)phenyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.