5-Chloro-2-nitrobenzotrifluoride
TL;DR: 5-Chloro-2-nitrobenzotrifluoride (CAS 118-83-2) 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-1-nitro-2-(trifluoromethyl)benzene
Also Known As: 5-Chloro-2-nitrobenzotrifluoride, 4-Chloro-1-nitro-2-(trifluoromethyl)benzene, 2-nitro-5-chlorobenzotrifluoride, timtec-bb sbb009905, Benzene, 4-chloro-1-nitro-2-(trifluoromethyl)-
| Molecular Formula | C7H3ClF3NO2 |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 3.8 |
| 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 | 118-83-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | CFPIGEXZPWTNOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-nitrobenzotrifluoride (CAS 118-83-2), with molecular formula C7H3ClF3NO2 and molecular weight 224.98 g/mol. IUPAC: 4-chloro-1-nitro-2-(trifluoromethyl)benzene.
Chemical Property Profile of 5-Chloro-2-nitrobenzotrifluoride
Property Insights of 5-Chloro-2-nitrobenzotrifluoride
The XLogP value of 3.8 indicates that 5-Chloro-2-nitrobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 5-Chloro-2-nitrobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-nitrobenzotrifluoride 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 5-Chloro-2-nitrobenzotrifluoride?
The CAS number of 5-Chloro-2-nitrobenzotrifluoride is 118-83-2.
What is the molecular formula of 5-Chloro-2-nitrobenzotrifluoride?
The molecular formula of 5-Chloro-2-nitrobenzotrifluoride is C7H3ClF3NO2.
What is the molecular weight of 5-Chloro-2-nitrobenzotrifluoride?
The molecular weight of 5-Chloro-2-nitrobenzotrifluoride is 224.98 g/mol.
Where can I buy 5-Chloro-2-nitrobenzotrifluoride?
You can request a quote for 5-Chloro-2-nitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-nitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.