2,5-Dichloronitrobenzene
TL;DR: 2,5-Dichloronitrobenzene (CAS 89-61-2) is a chemical compound with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C6H3Cl2NO2 |
|---|---|
| Molecular Weight | 190.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.95409 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
| Melting Point | 56 °C |
| Boiling Point | 267 °C |
| Density | 1.669 at 22 °C |
| Solubility | In water, 95 mg/L at 25 °C |
| Flash Point | 135 °C |
| Vapor Pressure | 0.00505 [mmHg] |
| Refractive Index | 1.4390 at 75 °C |
Chemical Identifiers
| CAS Number | 89-61-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl |
| InChIKey | RZKKOBGFCAHLCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dichloronitrobenzene (CAS 89-61-2), with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol. IUPAC: 1,4-dichloro-2-nitrobenzene.
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
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 190.95 g/mol.
Where can I buy 2,5-Dichloronitrobenzene?
You can request a quote for 2,5-Dichloronitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichloronitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloronitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.