4-Chloro-2-nitro-1-(trifluoromethyl)benzene
TL;DR: 4-Chloro-2-nitro-1-(trifluoromethyl)benzene (CAS 25889-38-7) is a chemical compound with molecular formula C7H3ClF3NO2 and molecular weight 224.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-nitro-1-(trifluoromethyl)benzene
Also Known As: 4-Chloro-2-nitro-1-(trifluoromethyl)benzene, 4-Chloro-2-nitrobenzotrifluoride, 3-CHLOROCATECHOL, 4-chloro-2-nitro-1- benzene, 5-Chloro-2-(trifluoromethyl)nitrobenzene
| Molecular Formula | C7H3ClF3NO2 |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.98044 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 25889-38-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(F)(F)F |
| InChIKey | DDNRGAUZMIFKQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-nitro-1-(trifluoromethyl)benzene (CAS 25889-38-7), with molecular formula C7H3ClF3NO2 and molecular weight 224.98 g/mol. IUPAC: 4-chloro-2-nitro-1-(trifluoromethyl)benzene.
Chemical Property Profile of 4-Chloro-2-nitro-1-(trifluoromethyl)benzene
Property Insights of 4-Chloro-2-nitro-1-(trifluoromethyl)benzene
The XLogP value of 3.6 indicates that 4-Chloro-2-nitro-1-(trifluoromethyl)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, 4-Chloro-2-nitro-1-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-nitro-1-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 5 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 4-Chloro-2-nitro-1-(trifluoromethyl)benzene?
The CAS number of 4-Chloro-2-nitro-1-(trifluoromethyl)benzene is 25889-38-7.
What is the molecular formula of 4-Chloro-2-nitro-1-(trifluoromethyl)benzene?
The molecular formula of 4-Chloro-2-nitro-1-(trifluoromethyl)benzene is C7H3ClF3NO2.
What is the molecular weight of 4-Chloro-2-nitro-1-(trifluoromethyl)benzene?
The molecular weight of 4-Chloro-2-nitro-1-(trifluoromethyl)benzene is 224.98 g/mol.
Where can I buy 4-Chloro-2-nitro-1-(trifluoromethyl)benzene?
You can request a quote for 4-Chloro-2-nitro-1-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-nitro-1-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-nitro-1-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.