3,5-Dinitrobenzonitrile
TL;DR: 3,5-Dinitrobenzonitrile (CAS 4110-35-4) 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.
3,5-dinitrobenzonitrile
Also Known As: 3,5-Dinitrobenzonitrile, BENZONITRILE, 3,5-DINITRO-, 3,5-Dinitro-benzonitrile, Benzonitrile,5-dinitro-, 3,5-bisnitrobenzonitrile
| Molecular Formula | C7H3N3O4 |
|---|---|
| Molecular Weight | 193.01 g/mol |
| LogP | 2.4 |
| 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 | 4110-35-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N |
| InChIKey | SSDNULNTQAUNFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitrobenzonitrile (CAS 4110-35-4), with molecular formula C7H3N3O4 and molecular weight 193.01 g/mol. IUPAC: 3,5-dinitrobenzonitrile.
Chemical Property Profile of 3,5-Dinitrobenzonitrile
Property Insights of 3,5-Dinitrobenzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitrobenzonitrile. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitrobenzonitrile. Following Lipinski's Rule of Five, 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 3,5-Dinitrobenzonitrile?
The CAS number of 3,5-Dinitrobenzonitrile is 4110-35-4.
What is the molecular formula of 3,5-Dinitrobenzonitrile?
The molecular formula of 3,5-Dinitrobenzonitrile is C7H3N3O4.
What is the molecular weight of 3,5-Dinitrobenzonitrile?
The molecular weight of 3,5-Dinitrobenzonitrile is 193.01 g/mol.
Where can I buy 3,5-Dinitrobenzonitrile?
You can request a quote for 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 3,5-Dinitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.