2,4,6-Trinitrobenzonitrile
TL;DR: 2,4,6-Trinitrobenzonitrile (CAS 37841-25-1) is a chemical compound with molecular formula C7H2N4O6 and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trinitrobenzonitrile
Also Known As: 2,4,6-trinitrobenzonitrile, Benzonitrile, 2,4,6-trinitro-, 2,4,6-trinitro-benzonitrile, 2,4,6-trinitrobenzenecarbonitrile, ZERO/005345
| Molecular Formula | C7H2N4O6 |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 1.28288 |
| Topological Polar Surface Area | 153.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.99744 |
| Heavy Atoms | 17 |
| Complexity | 539.21204 |
Chemical Identifiers
| CAS Number | 37841-25-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C#N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,4,6-Trinitrobenzonitrile (CAS 37841-25-1), with molecular formula C7H2N4O6 and molecular weight 238.00 g/mol. IUPAC: 2,4,6-trinitrobenzonitrile.
Chemical Property Profile of 2,4,6-Trinitrobenzonitrile
Property Insights of 2,4,6-Trinitrobenzonitrile
The XLogP value of 1.28288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrobenzonitrile. The TPSA of 153.21 Ų indicates high polarity, suggesting 2,4,6-Trinitrobenzonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrobenzonitrile 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
Frequently Asked Questions
What is the CAS number of 2,4,6-Trinitrobenzonitrile?
The CAS number of 2,4,6-Trinitrobenzonitrile is 37841-25-1.
What is the molecular formula of 2,4,6-Trinitrobenzonitrile?
The molecular formula of 2,4,6-Trinitrobenzonitrile is C7H2N4O6.
What is the molecular weight of 2,4,6-Trinitrobenzonitrile?
The molecular weight of 2,4,6-Trinitrobenzonitrile is 238.00 g/mol.
Where can I buy 2,4,6-Trinitrobenzonitrile?
You can request a quote for 2,4,6-Trinitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.