2,3,4-Trinitroaniline
TL;DR: 2,3,4-Trinitroaniline (CAS 73333-90-1) is a chemical compound with molecular formula C6H4N4O6 and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trinitroaniline
Also Known As: TRINITROANILINE, 2,3,4-trinitroaniline, Benzenamine, trinitro-, 2,3,4-trinitro-aniline, EINECS 248-137-7
| Molecular Formula | C6H4N4O6 |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 0.9934 |
| Topological Polar Surface Area | 155.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.01308 |
| Heavy Atoms | 16 |
| Complexity | 498.0373 |
Chemical Identifiers
| CAS Number | 73333-90-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,3,4-Trinitroaniline (CAS 73333-90-1), with molecular formula C6H4N4O6 and molecular weight 228.01 g/mol. IUPAC: 2,3,4-trinitroaniline.
Chemical Property Profile of 2,3,4-Trinitroaniline
Property Insights of 2,3,4-Trinitroaniline
The XLogP value of 0.9934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trinitroaniline. The TPSA of 155.44 Ų indicates high polarity, suggesting 2,3,4-Trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4-Trinitroaniline has 1 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 2,3,4-Trinitroaniline?
The CAS number of 2,3,4-Trinitroaniline is 73333-90-1.
What is the molecular formula of 2,3,4-Trinitroaniline?
The molecular formula of 2,3,4-Trinitroaniline is C6H4N4O6.
What is the molecular weight of 2,3,4-Trinitroaniline?
The molecular weight of 2,3,4-Trinitroaniline is 228.01 g/mol.
Where can I buy 2,3,4-Trinitroaniline?
You can request a quote for 2,3,4-Trinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.