4-Chloro-3,5-dinitrobenzotrifluoride
TL;DR: 4-Chloro-3,5-dinitrobenzotrifluoride (CAS 393-75-9) 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-1,3-dinitro-5-(trifluoromethyl)benzene
Also Known As: 4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE, 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene, CHLORALIN, CDNT, DNT-Cl
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H2ClF3N2O4 |
| Molecular Weight | 269.9655 g/mol |
| XLogP | 2.5 |
| 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 | 303.0 |
| Melting Point | 133 to 136 °F (NTP, 1992) |
| Flash Point | 126 °C |
| Vapor Pressure | 0.000134 [mmHg] |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F |
| InChIKey | HFHAVERNVFNSHL-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-3,5-dinitrobenzotrifluoride is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chloro-3,5-dinitrobenzotrifluoride (CAS 393-75-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Chloro-3,5-dinitrobenzotrifluoride is a organic building block identified by CAS number 393-75-9 and the molecular formula C7H2ClF3N2O4 and a molecular weight of 269.97 g/mol. It is also known as 4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE and 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Chloro-3,5-dinitrobenzotrifluoride
Property Insights of 4-Chloro-3,5-dinitrobenzotrifluoride
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3,5-dinitrobenzotrifluoride. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3,5-dinitrobenzotrifluoride. Following Lipinski's Rule of Five, 4-Chloro-3,5-dinitrobenzotrifluoride 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 4-Chloro-3,5-dinitrobenzotrifluoride?
The CAS number of 4-Chloro-3,5-dinitrobenzotrifluoride is 393-75-9.
What is the molecular formula of 4-Chloro-3,5-dinitrobenzotrifluoride?
The molecular formula of 4-Chloro-3,5-dinitrobenzotrifluoride is C7H2ClF3N2O4.
What is the molecular weight of 4-Chloro-3,5-dinitrobenzotrifluoride?
The molecular weight of 4-Chloro-3,5-dinitrobenzotrifluoride is 269.9655 g/mol.
What are the applications of 4-Chloro-3,5-dinitrobenzotrifluoride?
4-Chloro-3,5-dinitrobenzotrifluoride is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem...
Where can I buy 4-Chloro-3,5-dinitrobenzotrifluoride?
You can request a quote for 4-Chloro-3,5-dinitrobenzotrifluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3,5-dinitrobenzotrifluoride?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3,5-dinitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.