3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline
TL;DR: 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 6624-49-3) is a chemical compound with molecular formula C9H7ClF3N3O4 and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline, 3-chloranyl-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline, Benzenamine, 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)-
| Molecular Formula | C9H7ClF3N3O4 |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.00772 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 6624-49-3 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | OTMGRWAAWZZGNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 6624-49-3), with molecular formula C9H7ClF3N3O4 and molecular weight 313.01 g/mol. IUPAC: 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Property Insights of 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline
The XLogP value of 3.2 indicates that 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline has 0 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 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
The CAS number of 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline is 6624-49-3.
What is the molecular formula of 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular formula of 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline is C9H7ClF3N3O4.
What is the molecular weight of 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular weight of 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline is 313.01 g/mol.
Where can I buy 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
You can request a quote for 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.