2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
TL;DR: 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene (CAS 29091-09-6) is a chemical compound with molecular formula C7HCl2F3N2O4 and molecular weight 303.92654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
Also Known As: 2,4-Dichloro-3,5-dinitrobenzotrifluoride, 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene, C7HCl2F3N2O4, Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-, 2,4-Dichloro-3,5-dinitro benzotrifluoride
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7HCl2F3N2O4 |
| Molecular Weight | 303.92654 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.92654 Da |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(F)(F)F |
| InChIKey | DPQYRXNRGNLPFC-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
Property Insights of 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
The XLogP value of 3.7 indicates that 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene. Following Lipinski's Rule of Five, 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene?
The CAS number of 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene is 29091-09-6.
What is the molecular formula of 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene?
The molecular formula of 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene is C7HCl2F3N2O4.
What is the molecular weight of 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene?
The molecular weight of 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene is 303.92654 g/mol.
Where can I buy 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene?
You can request a quote for 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.