Dinitrobenzonitrile
TL;DR: Dinitrobenzonitrile (CAS 35213-00-4) is a chemical compound with molecular formula C7H3N3O4 and molecular weight 193.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitrobenzonitrile
Also Known As: 2,6-Dinitrobenzonitrile, Dinitrobenzonitrile, Benzonitrile, 2,6-dinitro-, 2,6-dinitro-benzonitrile, 26-Dinitrobenzonitrile
| Molecular Formula | C7H3N3O4 |
|---|---|
| Molecular Weight | 193.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.01236 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 35213-00-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)[N+](=O)[O-] |
| InChIKey | ZYDGHQSJZAFMLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dinitrobenzonitrile (CAS 35213-00-4), with molecular formula C7H3N3O4 and molecular weight 193.01 g/mol. IUPAC: 2,6-dinitrobenzonitrile.
Chemical Property Profile of Dinitrobenzonitrile
Property Insights of Dinitrobenzonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitrobenzonitrile. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinitrobenzonitrile. Following Lipinski's Rule of Five, 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 Dinitrobenzonitrile?
The CAS number of Dinitrobenzonitrile is 35213-00-4.
What is the molecular formula of Dinitrobenzonitrile?
The molecular formula of Dinitrobenzonitrile is C7H3N3O4.
What is the molecular weight of Dinitrobenzonitrile?
The molecular weight of Dinitrobenzonitrile is 193.01 g/mol.
Where can I buy Dinitrobenzonitrile?
You can request a quote for Dinitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for Dinitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.