2-Chloro-4-nitrobenzotrifluoride
TL;DR: 2-Chloro-4-nitrobenzotrifluoride (CAS 28163-00-0) 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.
2-chloro-4-nitro-1-(trifluoromethyl)benzene
Also Known As: 2-Chloro-4-nitrobenzotrifluoride, 2-chloro-4-nitro-1-(trifluoromethyl)benzene, Intermediates-ZCF02158, 2-Chloro-4-nitrobenzonitrile, Benzene, 2-chloro-4-nitro-1-(trifluoromethyl)-
| Molecular Formula | C7H3ClF3NO2 |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 3.267 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.98044 |
| Heavy Atoms | 14 |
| Complexity | 377.68793 |
Chemical Identifiers
| CAS Number | 28163-00-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(F)(F)F |
Product Overview
2-Chloro-4-nitrobenzotrifluoride (CAS 28163-00-0), with molecular formula C7H3ClF3NO2 and molecular weight 224.98 g/mol. IUPAC: 2-chloro-4-nitro-1-(trifluoromethyl)benzene.
Chemical Property Profile of 2-Chloro-4-nitrobenzotrifluoride
Property Insights of 2-Chloro-4-nitrobenzotrifluoride
The XLogP value of 3.267 indicates that 2-Chloro-4-nitrobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Chloro-4-nitrobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-nitrobenzotrifluoride 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 2-Chloro-4-nitrobenzotrifluoride?
The CAS number of 2-Chloro-4-nitrobenzotrifluoride is 28163-00-0.
What is the molecular formula of 2-Chloro-4-nitrobenzotrifluoride?
The molecular formula of 2-Chloro-4-nitrobenzotrifluoride is C7H3ClF3NO2.
What is the molecular weight of 2-Chloro-4-nitrobenzotrifluoride?
The molecular weight of 2-Chloro-4-nitrobenzotrifluoride is 224.98 g/mol.
Where can I buy 2-Chloro-4-nitrobenzotrifluoride?
You can request a quote for 2-Chloro-4-nitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-nitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.