4,5-Dichloro-2-nitrobenzotrifluoride
TL;DR: 4,5-Dichloro-2-nitrobenzotrifluoride (CAS 63762-79-8) is a chemical compound with molecular formula C7H2Cl2F3NO2 and molecular weight 258.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-nitro-5-(trifluoromethyl)benzene
Also Known As: 4,5-Dichloro-2-nitrobenzotrifluoride, 1,2-dichloro-4-nitro-5-(trifluoromethyl)benzene, 3,4-Dichloro-6-nitrobenzotrifluoride, 2-Fluoro-5-methylphenol, 4-Ethyl-1,3-dioxolan-2-one
| Molecular Formula | C7H2Cl2F3NO2 |
|---|---|
| Molecular Weight | 258.94 g/mol |
| LogP | 3.9204 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.94147 |
| Heavy Atoms | 15 |
| Complexity | 419.4317 |
Chemical Identifiers
| CAS Number | 63762-79-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])C(F)(F)F |
Product Overview
4,5-Dichloro-2-nitrobenzotrifluoride (CAS 63762-79-8), with molecular formula C7H2Cl2F3NO2 and molecular weight 258.94 g/mol. IUPAC: 1,2-dichloro-4-nitro-5-(trifluoromethyl)benzene.
Chemical Property Profile of 4,5-Dichloro-2-nitrobenzotrifluoride
Property Insights of 4,5-Dichloro-2-nitrobenzotrifluoride
The XLogP value of 3.9204 indicates that 4,5-Dichloro-2-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, 4,5-Dichloro-2-nitrobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-2-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 4,5-Dichloro-2-nitrobenzotrifluoride?
The CAS number of 4,5-Dichloro-2-nitrobenzotrifluoride is 63762-79-8.
What is the molecular formula of 4,5-Dichloro-2-nitrobenzotrifluoride?
The molecular formula of 4,5-Dichloro-2-nitrobenzotrifluoride is C7H2Cl2F3NO2.
What is the molecular weight of 4,5-Dichloro-2-nitrobenzotrifluoride?
The molecular weight of 4,5-Dichloro-2-nitrobenzotrifluoride is 258.94 g/mol.
Where can I buy 4,5-Dichloro-2-nitrobenzotrifluoride?
You can request a quote for 4,5-Dichloro-2-nitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-2-nitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-2-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.