4-氯-3,5-二硝基三氟甲苯
TL;DR: 4-氯-3,5-二硝基三氟甲苯 (CAS 393-75-9) is a chemical compound with molecular formula C7H2ClF3N2O4 and molecular weight 269.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-3,5-二硝基三氟甲苯
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
| Molecular Formula | C7H2ClF3N2O4 |
|---|---|
| Molecular Weight | 269.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.9655 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
| Melting Point | 133 to 57.8 °C |
| Flash Point | 126 °C |
| Vapor Pressure | 0.000134 [mmHg] |
Chemical Identifiers
| CAS Number | 393-75-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F |
| InChIKey | HFHAVERNVFNSHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-3,5-二硝基三氟甲苯 (CAS 393-75-9), with molecular formula C7H2ClF3N2O4 and molecular weight 269.97 g/mol. IUPAC: 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene.
Chemical Property Profile of 4-氯-3,5-二硝基三氟甲苯
Property Insights of 4-氯-3,5-二硝基三氟甲苯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-3,5-二硝基三氟甲苯. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氯-3,5-二硝基三氟甲苯. Following Lipinski's Rule of Five, 4-氯-3,5-二硝基三氟甲苯 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
Frequently Asked Questions
What is the CAS number of 4-氯-3,5-二硝基三氟甲苯?
The CAS number of 4-氯-3,5-二硝基三氟甲苯 is 393-75-9.
What is the molecular formula of 4-氯-3,5-二硝基三氟甲苯?
The molecular formula of 4-氯-3,5-二硝基三氟甲苯 is C7H2ClF3N2O4.
What is the molecular weight of 4-氯-3,5-二硝基三氟甲苯?
The molecular weight of 4-氯-3,5-二硝基三氟甲苯 is 269.97 g/mol.
Where can I buy 4-氯-3,5-二硝基三氟甲苯?
You can request a quote for 4-氯-3,5-二硝基三氟甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-3,5-二硝基三氟甲苯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-3,5-二硝基三氟甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.