2,4,5-Trichloronitrobenzene
TL;DR: 2,4,5-Trichloronitrobenzene (CAS 89-69-0) is a chemical compound with molecular formula C6H2Cl3NO2 and molecular weight 224.91512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-trichloro-5-nitrobenzene
Also Known As: 1,2,4-Trichloro-5-nitrobenzene, 2,4,5-TRICHLORONITROBENZENE, 3,4,6-Trichloronitrobenzene, 1-Nitro-2,4,5-trichlorobenzene, 5-Nitro-1,2,4-trichlorobenzene
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H2Cl3NO2 |
| Molecular Weight | 224.91512 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.91512 Da |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
| Melting Point | 135 to 136 °F (NTP, 1992) |
| Boiling Point | 550 °F at 760 mmHg (NTP, 1992) |
| Density | 1.79 at 73 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 230 °F (NTP, 1992) |
| Vapor Pressure | 0.000792 [mmHg] |
| Solubility | less than 1 mg/mL at 61 °F (NTP, 1992) |
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | IBRBMZRLVYKVRF-UHFFFAOYSA-N |
Product Description
Applications: 2,4,5-Trichloronitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4,5-Trichloronitrobenzene (CAS 89-69-0) 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, 2,4,5-Trichloronitrobenzene (CAS 89-69-0) has the molecular formula C6H2Cl3NO2 and a molecular weight of 224.92 g/mol. Reported properties include a density of 1.79 at 73 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 61 °F (NTP, 1992). It is also known as 1,2,4-Trichloro-5-nitrobenzene and 2,4,5-TRICHLORONITROBENZENE.
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 2,4,5-Trichloronitrobenzene
Property Insights of 2,4,5-Trichloronitrobenzene
The XLogP value of 3.5 indicates that 2,4,5-Trichloronitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2,4,5-Trichloronitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichloronitrobenzene 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 2,4,5-Trichloronitrobenzene?
The CAS number of 2,4,5-Trichloronitrobenzene is 89-69-0.
What is the molecular formula of 2,4,5-Trichloronitrobenzene?
The molecular formula of 2,4,5-Trichloronitrobenzene is C6H2Cl3NO2.
What is the molecular weight of 2,4,5-Trichloronitrobenzene?
The molecular weight of 2,4,5-Trichloronitrobenzene is 224.91512 g/mol.
What are the applications of 2,4,5-Trichloronitrobenzene?
2,4,5-Trichloronitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2,4,5-Trichloronitrobenzene?
You can request a quote for 2,4,5-Trichloronitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,5-Trichloronitrobenzene?
Yes, CoreyChem provides custom synthesis services for 2,4,5-Trichloronitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.