1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene
TL;DR: 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene (CAS 646497-98-5) is a chemical compound with molecular formula C13H6Cl2F3NO3 and molecular weight 350.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene
Also Known As: 1-chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene
| Molecular Formula | C13H6Cl2F3NO3 |
|---|---|
| Molecular Weight | 350.97 g/mol |
| LogP | 5.7127 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.96768 |
| Heavy Atoms | 22 |
| Complexity | 717.7056 |
Chemical Identifiers
| CAS Number | 646497-98-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])Cl |
Product Overview
1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene (CAS 646497-98-5), with molecular formula C13H6Cl2F3NO3 and molecular weight 350.97 g/mol. IUPAC: 1-chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene.
Chemical Property Profile of 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene
Property Insights of 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene
The XLogP value of 5.7127 indicates that 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene has 0 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 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
The CAS number of 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene is 646497-98-5.
What is the molecular formula of 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
The molecular formula of 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene is C13H6Cl2F3NO3.
What is the molecular weight of 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
The molecular weight of 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene is 350.97 g/mol.
Where can I buy 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
You can request a quote for 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.