Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-
TL;DR: Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- (CAS 392-95-0) is a chemical compound with molecular formula C7H2ClF3N2O4 and molecular weight 269.9655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene
Also Known As: 2-Chloro-3,5-dinitrobenzotrifluoride, 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene, Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-, 2-Bromo-5-fluorobenzotrifluoride, 2-Propynal, 3-(4-methoxyphenyl)-
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H2ClF3N2O4 |
| Molecular Weight | 269.9655 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.9655 Da |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
| SMILES | C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RLXKADBMLQPLDV-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-
Property Insights of Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-
The XLogP value of 3.1 indicates that Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- 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 Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- 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 Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-?
The CAS number of Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- is 392-95-0.
What is the molecular formula of Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-?
The molecular formula of Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- is C7H2ClF3N2O4.
What is the molecular weight of Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-?
The molecular weight of Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- is 269.9655 g/mol.
Where can I buy Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-?
You can request a quote for Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.