![N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline structure](/static/products/726/72601-94-6.png)
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline (CAS 72601-94-6) is a chemical compound with molecular formula C13H6ClF3N4O6 and molecular weight 405.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline, 6-chloro-n-picryl-alpha,alpha,alpha-trifluoro-m-toluidine, N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitro-aniline
| Molecular Formula | C13H6ClF3N4O6 |
|---|---|
| Molecular Weight | 405.99 g/mol |
| LogP | 4.827 |
| Topological Polar Surface Area | 141.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.9928 |
| Heavy Atoms | 27 |
| Complexity | 930.5466 |
Chemical Identifiers
| CAS Number | 72601-94-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline (CAS 72601-94-6), with molecular formula C13H6ClF3N4O6 and molecular weight 405.99 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline.
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline
The XLogP value of 4.827 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.45 Ų indicates high polarity, suggesting N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline has 1 hydrogen bond donor(s) and 7 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 N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline is 72601-94-6.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline is C13H6ClF3N4O6.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline is 405.99 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.