2,5-Dichloronitrobenzene
TL;DR: 2,5-Dichloronitrobenzene (CAS 89-61-2) is a chemical compound with molecular formula C6H3Cl2NO2 and molecular weight 190.95409 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dichloro-2-nitrobenzene
Also Known As: 1,4-Dichloro-2-nitrobenzene, 2,5-DICHLORONITROBENZENE, Nitro-p-dichlorobenzene, 2,5-Dichlornitrobenzen, 1-Nitro-2,5-dichlorobenzene
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3Cl2NO2 |
| Molecular Weight | 190.95409 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.95409 Da |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
| Melting Point | 56 °C |
| Boiling Point | 267 °C |
| Density | 1.669 at 22 °C |
| Flash Point | 135 °C |
| Vapor Pressure | 0.00505 [mmHg] |
| Refractive Index | Index of refraction: 1.4390 at 75 °C |
| Solubility | In water, 95 mg/L at 25 °C |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl |
| InChIKey | RZKKOBGFCAHLCZ-UHFFFAOYSA-N |
Product Description
Applications: 2,5-Dichloronitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2,5-Dichloronitrobenzene is a heterocyclic building block identified by CAS number 89-61-2 and the molecular formula C6H3Cl2NO2 and a molecular weight of 190.95 g/mol. Physically, the compound has a density of 1.669 at 22 °C g/cm³, a solubility: In water, 95 mg/L at 25 °C. Synonyms include 1,4-Dichloro-2-nitrobenzene and 2,5-DICHLORONITROBENZENE.
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 2,5-Dichloronitrobenzene
Property Insights of 2,5-Dichloronitrobenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichloronitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 2,5-Dichloronitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dichloronitrobenzene 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 2,5-Dichloronitrobenzene?
The CAS number of 2,5-Dichloronitrobenzene is 89-61-2.
What is the molecular formula of 2,5-Dichloronitrobenzene?
The molecular formula of 2,5-Dichloronitrobenzene is C6H3Cl2NO2.
What is the molecular weight of 2,5-Dichloronitrobenzene?
The molecular weight of 2,5-Dichloronitrobenzene is 190.95409 g/mol.
What are the applications of 2,5-Dichloronitrobenzene?
2,5-Dichloronitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2,5-Dichloronitrobenzene?
You can request a quote for 2,5-Dichloronitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Dichloronitrobenzene?
Yes, CoreyChem provides custom synthesis services for 2,5-Dichloronitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.