Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-
TL;DR: Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)- (CAS 71980-08-0) is a chemical compound with molecular formula C13H6ClF3N2O5 and molecular weight 361.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)benzene
Also Known As: Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)benzene, N-Acetyl-5-hydroxytryptophyl-5-hydroxytryptophanamide, 4-(2-chloro-4-trifluoromethylphenoxy)1,2-dinitrobenzene, 4-(2-chloro-4-trifluoromethylphenoxy)-1,2-dinitrobenzene
| Molecular Formula | C13H6ClF3N2O5 |
|---|---|
| Molecular Weight | 361.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.99173 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 71980-08-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IHEOGOJRIWLPMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)- (CAS 71980-08-0), with molecular formula C13H6ClF3N2O5 and molecular weight 361.99 g/mol. IUPAC: 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)benzene.
Chemical Property Profile of Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-
Property Insights of Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-
The XLogP value of 4.2 indicates that Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)- 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 Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-?
The CAS number of Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)- is 71980-08-0.
What is the molecular formula of Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-?
The molecular formula of Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)- is C13H6ClF3N2O5.
What is the molecular weight of Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-?
The molecular weight of Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)- is 361.99 g/mol.
Where can I buy Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-?
You can request a quote for Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.