1,2,3-Trinitrobenzene
TL;DR: 1,2,3-Trinitrobenzene (CAS 603-13-4) is a chemical compound with molecular formula C6H3N3O6 and molecular weight 213.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trinitrobenzene
Also Known As: 1,2,3-trinitrobenzene, Trinitrobenzene, Benzene, 1,2,3-trinitro-, 1,2,3-Trinitrobenzol, RefChem:71438
| Molecular Formula | C6H3N3O6 |
|---|---|
| Molecular Weight | 213.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.00218 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 603-13-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ONOWMDPHGJEBAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trinitrobenzene (CAS 603-13-4), with molecular formula C6H3N3O6 and molecular weight 213.00 g/mol. IUPAC: 1,2,3-trinitrobenzene.
Chemical Property Profile of 1,2,3-Trinitrobenzene
Property Insights of 1,2,3-Trinitrobenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trinitrobenzene. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Trinitrobenzene. Following Lipinski's Rule of Five, 1,2,3-Trinitrobenzene has 0 hydrogen bond donor(s) and 6 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 1,2,3-Trinitrobenzene?
The CAS number of 1,2,3-Trinitrobenzene is 603-13-4.
What is the molecular formula of 1,2,3-Trinitrobenzene?
The molecular formula of 1,2,3-Trinitrobenzene is C6H3N3O6.
What is the molecular weight of 1,2,3-Trinitrobenzene?
The molecular weight of 1,2,3-Trinitrobenzene is 213.00 g/mol.
Where can I buy 1,2,3-Trinitrobenzene?
You can request a quote for 1,2,3-Trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.