2,4-Dichloro-5-nitrobenzotrifluoride
TL;DR: 2,4-Dichloro-5-nitrobenzotrifluoride (CAS 400-70-4) 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.
1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene
Also Known As: 2,4-Dichloro-5-nitrobenzotrifluoride, 1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene, Fmoc-Gln(Trt)-OPfp, 5-Fluoro-2-hydroxyaniline, Benzene, 1,5-dichloro-2-nitro-4-(trifluoromethyl)-
| Molecular Formula | C7H2Cl2F3NO2 |
|---|---|
| Molecular Weight | 258.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.94147 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 400-70-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)C(F)(F)F |
| InChIKey | VLVNHMVSVDVAOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichloro-5-nitrobenzotrifluoride (CAS 400-70-4), with molecular formula C7H2Cl2F3NO2 and molecular weight 258.94 g/mol. IUPAC: 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 2,4-Dichloro-5-nitrobenzotrifluoride
Property Insights of 2,4-Dichloro-5-nitrobenzotrifluoride
The XLogP value of 3.9 indicates that 2,4-Dichloro-5-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, 2,4-Dichloro-5-nitrobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-5-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 2,4-Dichloro-5-nitrobenzotrifluoride?
The CAS number of 2,4-Dichloro-5-nitrobenzotrifluoride is 400-70-4.
What is the molecular formula of 2,4-Dichloro-5-nitrobenzotrifluoride?
The molecular formula of 2,4-Dichloro-5-nitrobenzotrifluoride is C7H2Cl2F3NO2.
What is the molecular weight of 2,4-Dichloro-5-nitrobenzotrifluoride?
The molecular weight of 2,4-Dichloro-5-nitrobenzotrifluoride is 258.94 g/mol.
Where can I buy 2,4-Dichloro-5-nitrobenzotrifluoride?
You can request a quote for 2,4-Dichloro-5-nitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-5-nitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-5-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.