N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline
TL;DR: N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline (CAS 2069-18-3) is a chemical compound with molecular formula C13H7Cl2F3N2O2 and molecular weight 349.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline
Also Known As: N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline, N-(3,4-Dichlorophenyl)-2-nitro-4-(trifluoromethyl)benzenamine
| Molecular Formula | C13H7Cl2F3N2O2 |
|---|---|
| Molecular Weight | 349.98 g/mol |
| LogP | 5.664 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.98367 |
| Heavy Atoms | 22 |
| Complexity | 735.7105 |
Chemical Identifiers
| CAS Number | 2069-18-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline (CAS 2069-18-3), with molecular formula C13H7Cl2F3N2O2 and molecular weight 349.98 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline
Property Insights of N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline
The XLogP value of 5.664 indicates that N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline?
The CAS number of N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline is 2069-18-3.
What is the molecular formula of N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline?
The molecular formula of N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline is C13H7Cl2F3N2O2.
What is the molecular weight of N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline?
The molecular weight of N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline is 349.98 g/mol.
Where can I buy N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline?
You can request a quote for N-(3,4-dichlorophenyl)-2-nitro-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 N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dichlorophenyl)-2-nitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.