1,2,4,5-Tetrachloro-3-nitrobenzene
TL;DR: 1,2,4,5-Tetrachloro-3-nitrobenzene (CAS 117-18-0) is a chemical compound with molecular formula C6HCl4NO2 and molecular weight 258.87613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4,5-tetrachloro-3-nitrobenzene
Also Known As: TECNAZENE, Tecnazen, Myfusan, Fusarex, Arena
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6HCl4NO2 |
| Molecular Weight | 258.87613 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.8732 Da |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
| Melting Point | 210 to 212 °F (NTP, 1992) |
| Boiling Point | 579 °F at 760 mmHg (NTP, 1992) |
| Density | 1.744 (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.0018 [mmHg] |
| Solubility | less than 0.1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl |
| InChIKey | XQTLDIFVVHJORV-UHFFFAOYSA-N |
Product Description
Applications: 1,2,4,5-Tetrachloro-3-nitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,2,4,5-Tetrachloro-3-nitrobenzene (CAS 117-18-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 1,2,4,5-Tetrachloro-3-nitrobenzene (CAS 117-18-0) has the molecular formula C6HCl4NO2 and a molecular weight of 258.88 g/mol. Reported properties include a density of 1.744 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 68 °F (NTP, 1992). It is also known as TECNAZENE and Tecnazen.
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 1,2,4,5-Tetrachloro-3-nitrobenzene
Property Insights of 1,2,4,5-Tetrachloro-3-nitrobenzene
The XLogP value of 3.9 indicates that 1,2,4,5-Tetrachloro-3-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2,4,5-Tetrachloro-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,5-Tetrachloro-3-nitrobenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,4,5-Tetrachloro-3-nitrobenzene?
The CAS number of 1,2,4,5-Tetrachloro-3-nitrobenzene is 117-18-0.
What is the molecular formula of 1,2,4,5-Tetrachloro-3-nitrobenzene?
The molecular formula of 1,2,4,5-Tetrachloro-3-nitrobenzene is C6HCl4NO2.
What is the molecular weight of 1,2,4,5-Tetrachloro-3-nitrobenzene?
The molecular weight of 1,2,4,5-Tetrachloro-3-nitrobenzene is 258.87613 g/mol.
What are the applications of 1,2,4,5-Tetrachloro-3-nitrobenzene?
1,2,4,5-Tetrachloro-3-nitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1,2,4,5-Tetrachloro-3-nitrobenzene?
You can request a quote for 1,2,4,5-Tetrachloro-3-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4,5-Tetrachloro-3-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,2,4,5-Tetrachloro-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.