2,2-Dinitroacetonitrile
TL;DR: 2,2-Dinitroacetonitrile (CAS 123342-26-7) is a chemical compound with molecular formula C2HN3O4 and molecular weight 130.9967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dinitroacetonitrile
Also Known As: 2,2-dinitroacetonitrile, dinitroacetonitrile, ethanenitrile, 2,2-dinitro-, ammonium salt of dinitroacetonitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2HN3O4 |
| Molecular Weight | 130.9967 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.9967 Da |
| Heavy Atoms | 9 |
| Complexity | 164.0 |
| SMILES | C(#N)C([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FFTLEZMCZZAUQJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dinitroacetonitrile
Property Insights of 2,2-Dinitroacetonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dinitroacetonitrile. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dinitroacetonitrile. Following Lipinski's Rule of Five, 2,2-Dinitroacetonitrile 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
What is the CAS number of 2,2-Dinitroacetonitrile?
The CAS number of 2,2-Dinitroacetonitrile is 123342-26-7.
What is the molecular formula of 2,2-Dinitroacetonitrile?
The molecular formula of 2,2-Dinitroacetonitrile is C2HN3O4.
What is the molecular weight of 2,2-Dinitroacetonitrile?
The molecular weight of 2,2-Dinitroacetonitrile is 130.9967 g/mol.
Where can I buy 2,2-Dinitroacetonitrile?
You can request a quote for 2,2-Dinitroacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dinitroacetonitrile?
Yes, CoreyChem provides custom synthesis services for 2,2-Dinitroacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.