2,4-Dichloronitrobenzene
TL;DR: 2,4-Dichloronitrobenzene (CAS 611-06-3) 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.
2,4-dichloro-1-nitrobenzene
Also Known As: 2,4-DICHLORONITROBENZENE, 2,4-Dichloro-1-nitrobenzene, 1,3-Dichloro-4-nitrobenzene, Benzene, 2,4-dichloro-1-nitro-, Nitro-m-dichlorobenzene
| Molecular Formula | C6H3Cl2NO2 |
|---|---|
| Molecular Weight | 190.95 g/mol |
| LogP | 3.1 |
| 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 | 84 to 32.2 °C |
| Boiling Point | 257.8 °C at 760 mmHg |
| Density | 1.551 at 77.8 °C |
| Solubility | less than 0.1 mg/mL at 61 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | 1.5512 at 70 °C/alpha |
Chemical Identifiers
| CAS Number | 611-06-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] |
| InChIKey | QUIMTLZDMCNYGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichloronitrobenzene (CAS 611-06-3), with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol. IUPAC: 2,4-dichloro-1-nitrobenzene.
Chemical Property Profile of 2,4-Dichloronitrobenzene
Property Insights of 2,4-Dichloronitrobenzene
The XLogP value of 3.1 indicates that 2,4-Dichloronitrobenzene 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-Dichloronitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-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 2,4-Dichloronitrobenzene?
The CAS number of 2,4-Dichloronitrobenzene is 611-06-3.
What is the molecular formula of 2,4-Dichloronitrobenzene?
The molecular formula of 2,4-Dichloronitrobenzene is C6H3Cl2NO2.
What is the molecular weight of 2,4-Dichloronitrobenzene?
The molecular weight of 2,4-Dichloronitrobenzene is 190.95 g/mol.
Where can I buy 2,4-Dichloronitrobenzene?
You can request a quote for 2,4-Dichloronitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloronitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloronitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.