Trinitroacetonitrile
TL;DR: Trinitroacetonitrile (CAS 630-72-8) is a chemical compound with molecular formula C2N4O6 and molecular weight 175.98178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trinitroacetonitrile
Also Known As: TRINITROACETONITRILE, Acetonitrile, trinitro-, 2,2,2-trinitroacetonitrile, Trinitroacetonitrile [Forbidden]
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2N4O6 |
| Molecular Weight | 175.98178 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.98178 Da |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
| SMILES | C(#N)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CPHSXUIZSJHWLU-UHFFFAOYSA-N |
Product Description
Applications: Trinitroacetonitrile is used in electronic materials and microfabrication processes, as well as lubricant and fuel additive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trinitroacetonitrile (CAS 630-72-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A electronic-grade chemical supplied by CoreyChem, Trinitroacetonitrile (CAS 630-72-8) has the molecular formula C2N4O6 and a molecular weight of 175.98 g/mol. It is also known as TRINITROACETONITRILE and Acetonitrile, trinitro-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Trinitroacetonitrile
Property Insights of Trinitroacetonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trinitroacetonitrile. The TPSA of 161.0 Ų indicates high polarity, suggesting Trinitroacetonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trinitroacetonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trinitroacetonitrile?
The CAS number of Trinitroacetonitrile is 630-72-8.
What is the molecular formula of Trinitroacetonitrile?
The molecular formula of Trinitroacetonitrile is C2N4O6.
What is the molecular weight of Trinitroacetonitrile?
The molecular weight of Trinitroacetonitrile is 175.98178 g/mol.
What are the applications of Trinitroacetonitrile?
Trinitroacetonitrile is used in electronic materials and microfabrication processes, as well as lubricant and fuel additive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trinitroacetonitrile (CAS 630-72-8) with custom synthesis available...
Where can I buy Trinitroacetonitrile?
You can request a quote for Trinitroacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trinitroacetonitrile?
Yes, CoreyChem provides custom synthesis services for Trinitroacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.