2,4-Dinitrobenzonitrile
TL;DR: 2,4-Dinitrobenzonitrile (CAS 41295-57-2) 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.
2,4-dinitrobenzonitrile
Also Known As: 2,4-Dinitrobenzonitrile, o,p-diNO2PhCN, 2,4-Dinitro-benzonitrile, 2-Nitro-4-nitrobenzonitrile, 1-Cyano-2,4-dinitrobenzene
| Molecular Formula | C7H3N3O4 |
|---|---|
| Molecular Weight | 193.01 g/mol |
| LogP | 0.8 |
| 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 | 296.0 |
Chemical Identifiers
| CAS Number | 41295-57-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N |
| InChIKey | KCUDEOWPXBMDJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitrobenzonitrile (CAS 41295-57-2), with molecular formula C7H3N3O4 and molecular weight 193.01 g/mol. IUPAC: 2,4-dinitrobenzonitrile.
Chemical Property Profile of 2,4-Dinitrobenzonitrile
Property Insights of 2,4-Dinitrobenzonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrobenzonitrile. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitrobenzonitrile. Following Lipinski's Rule of Five, 2,4-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-Dinitrobenzonitrile?
The CAS number of 2,4-Dinitrobenzonitrile is 41295-57-2.
What is the molecular formula of 2,4-Dinitrobenzonitrile?
The molecular formula of 2,4-Dinitrobenzonitrile is C7H3N3O4.
What is the molecular weight of 2,4-Dinitrobenzonitrile?
The molecular weight of 2,4-Dinitrobenzonitrile is 193.01 g/mol.
Where can I buy 2,4-Dinitrobenzonitrile?
You can request a quote for 2,4-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-Dinitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.