2,4-Dichloro-3,5-dinitrobenzonitrile
TL;DR: 2,4-Dichloro-3,5-dinitrobenzonitrile (CAS 1930-71-8) is a chemical compound with molecular formula C7HCl2N3O4 and molecular weight 260.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-3,5-dinitrobenzonitrile
Also Known As: 2,4-Dichloro-3,5-dinitrobenzonitrile, C7HCl2N3O4, Benzonitrile, 2,4-dichloro-3,5-dinitro-, Benzonitrile,4-dichloro-3,5-dinitro-, 2 4-DICHLORO-3 5-DINITROBENZONITRILE
| Molecular Formula | C7HCl2N3O4 |
|---|---|
| Molecular Weight | 260.93 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.93442 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 1930-71-8 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C#N |
| InChIKey | XBOQCIVRIFOJCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichloro-3,5-dinitrobenzonitrile (CAS 1930-71-8), with molecular formula C7HCl2N3O4 and molecular weight 260.93 g/mol. IUPAC: 2,4-dichloro-3,5-dinitrobenzonitrile.
Chemical Property Profile of 2,4-Dichloro-3,5-dinitrobenzonitrile
Property Insights of 2,4-Dichloro-3,5-dinitrobenzonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichloro-3,5-dinitrobenzonitrile. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-3,5-dinitrobenzonitrile. Following Lipinski's Rule of Five, 2,4-Dichloro-3,5-dinitrobenzonitrile has 0 hydrogen bond donor(s) and 5 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-Dichloro-3,5-dinitrobenzonitrile?
The CAS number of 2,4-Dichloro-3,5-dinitrobenzonitrile is 1930-71-8.
What is the molecular formula of 2,4-Dichloro-3,5-dinitrobenzonitrile?
The molecular formula of 2,4-Dichloro-3,5-dinitrobenzonitrile is C7HCl2N3O4.
What is the molecular weight of 2,4-Dichloro-3,5-dinitrobenzonitrile?
The molecular weight of 2,4-Dichloro-3,5-dinitrobenzonitrile is 260.93 g/mol.
Where can I buy 2,4-Dichloro-3,5-dinitrobenzonitrile?
You can request a quote for 2,4-Dichloro-3,5-dinitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-3,5-dinitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-3,5-dinitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.