2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane
TL;DR: 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane (CAS 33406-59-6) is a chemical compound with molecular formula C14H5Cl5N4O8 and molecular weight 531.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3-dinitro-5-[2,2,2-trichloro-1-(4-chloro-3,5-dinitrophenyl)ethyl]benzene
Also Known As: 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane, 2-chloro-1,3-dinitro-5-[2,2,2-trichloro-1-(4-chloro-3,5-dini, 2-chloro-1,3-dinitro-5-[2,2,2-trichloro-1-(4-chloro-3,5-dinitrophenyl)ethyl]benzene, 1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-chloro-3,5-dinitrobenzene), Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-chloro-3,5-dinitro-
| Molecular Formula | C14H5Cl5N4O8 |
|---|---|
| Molecular Weight | 531.86 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 531.855 |
| Heavy Atoms | 31 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 33406-59-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-])C(Cl)(Cl)Cl |
| InChIKey | RGDMXXVGAYOTHC-UHFFFAOYSA-N |
Product Overview
2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane (CAS 33406-59-6), with molecular formula C14H5Cl5N4O8 and molecular weight 531.86 g/mol. IUPAC: 2-chloro-1,3-dinitro-5-[2,2,2-trichloro-1-(4-chloro-3,5-dinitrophenyl)ethyl]benzene.
Chemical Property Profile of 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane
Property Insights of 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane
The XLogP value of 6.1 indicates that 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane?
The CAS number of 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane is 33406-59-6.
What is the molecular formula of 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane?
The molecular formula of 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane is C14H5Cl5N4O8.
What is the molecular weight of 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane?
The molecular weight of 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane is 531.86 g/mol.
Where can I buy 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane?
You can request a quote for 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-bis(3,5-dinitro-4-chlorophenyl)-1,1,1-trichloroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.