Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-
TL;DR: Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)- (CAS 70757-13-0) is a chemical compound with molecular formula C14H5Cl2F6N3O4 and molecular weight 462.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-, 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dinitro-4-(trifluoromethyl)aniline, 3-Chloro-4-trifluoromethyl-2,6-dinitro-N-[4-chloro-3-trifluoromethylphenyl]benzenamine
| Molecular Formula | C14H5Cl2F6N3O4 |
|---|---|
| Molecular Weight | 462.96 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.95612 |
| Heavy Atoms | 29 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 70757-13-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F)Cl |
| InChIKey | LOASZRBFZUUGJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)- (CAS 70757-13-0), with molecular formula C14H5Cl2F6N3O4 and molecular weight 462.96 g/mol. IUPAC: 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-
Property Insights of Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-
The XLogP value of 6.7 indicates that Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)- 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 Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-?
The CAS number of Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)- is 70757-13-0.
What is the molecular formula of Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-?
The molecular formula of Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)- is C14H5Cl2F6N3O4.
What is the molecular weight of Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-?
The molecular weight of Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)- is 462.96 g/mol.
Where can I buy Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-?
You can request a quote for Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-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, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 3-chloro-N-(4-chloro-3-(trifluoromethyl)phenyl)-2,6-dinitro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.