1-Nitro-3,5-bis(trichloromethyl)benzene
TL;DR: 1-Nitro-3,5-bis(trichloromethyl)benzene (CAS 25218-94-4) is a chemical compound with molecular formula C8H3Cl6NO2 and molecular weight 354.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3,5-bis(trichloromethyl)benzene
Also Known As: 1-Nitro-3,5-bis(trichloromethyl)benzene, 3,5-Bis[trichloromethyl]nitrobenzene, Benzene,1-nitro-3,5-bis(trichloromethyl), 1-Nitro-3,5-bis(trichloromethyl)benzene #, Benzene, 1-nitro-3,5-bis(trichloromethyl)-
| Molecular Formula | C8H3Cl6NO2 |
|---|---|
| Molecular Weight | 354.83 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 354.8295 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 25218-94-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(Cl)(Cl)Cl)[N+](=O)[O-])C(Cl)(Cl)Cl |
| InChIKey | HLKVXLAXMFMARO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-3,5-bis(trichloromethyl)benzene (CAS 25218-94-4), with molecular formula C8H3Cl6NO2 and molecular weight 354.83 g/mol. IUPAC: 1-nitro-3,5-bis(trichloromethyl)benzene.
Chemical Property Profile of 1-Nitro-3,5-bis(trichloromethyl)benzene
Property Insights of 1-Nitro-3,5-bis(trichloromethyl)benzene
The XLogP value of 5.0 indicates that 1-Nitro-3,5-bis(trichloromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitro-3,5-bis(trichloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-3,5-bis(trichloromethyl)benzene has 0 hydrogen bond donor(s) and 2 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 1-Nitro-3,5-bis(trichloromethyl)benzene?
The CAS number of 1-Nitro-3,5-bis(trichloromethyl)benzene is 25218-94-4.
What is the molecular formula of 1-Nitro-3,5-bis(trichloromethyl)benzene?
The molecular formula of 1-Nitro-3,5-bis(trichloromethyl)benzene is C8H3Cl6NO2.
What is the molecular weight of 1-Nitro-3,5-bis(trichloromethyl)benzene?
The molecular weight of 1-Nitro-3,5-bis(trichloromethyl)benzene is 354.83 g/mol.
Where can I buy 1-Nitro-3,5-bis(trichloromethyl)benzene?
You can request a quote for 1-Nitro-3,5-bis(trichloromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-3,5-bis(trichloromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3,5-bis(trichloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.