1,3,5-Trinitrobenzene
TL;DR: 1,3,5-Trinitrobenzene (CAS 99-35-4) is a chemical compound with molecular formula C6H3N3O6 and molecular weight 213.00218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,5-trinitrobenzene
Also Known As: 1,3,5-TRINITROBENZENE, Trinitrobenzene, Benzite, sym-Trinitrobenzene, s-Trinitrobenzene
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3N3O6 |
| Molecular Weight | 213.00218 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.00218 Da |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| Melting Point | 121.3 °C |
| Boiling Point | 315 °C |
| Density | 1.688 at 20 °C/4 °C |
| Vapor Pressure | 0.0000032 [mmHg] |
| Refractive Index | Index of refraction: 1,4775 at 152 C |
| Solubility | Solubility in water, 278 mg/L at 15 °C |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UATJOMSPNYCXIX-UHFFFAOYSA-N |
Product Description
Applications: 1,3,5-Trinitrobenzene is used in imaging, photographic, and photosensitive formulations, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A photographic chemical supplied by CoreyChem, 1,3,5-Trinitrobenzene (CAS 99-35-4) has the molecular formula C6H3N3O6 and a molecular weight of 213 g/mol. Reported properties include a density of 1.688 at 20 °C/4 °C g/cm³, a solubility: Solubility in water, 278 mg/L at 15 °C. Synonyms include 1,3,5-TRINITROBENZENE and Trinitrobenzene.
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 1,3,5-Trinitrobenzene
Property Insights of 1,3,5-Trinitrobenzene
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Trinitrobenzene. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Trinitrobenzene. Following Lipinski's Rule of Five, 1,3,5-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
What is the CAS number of 1,3,5-Trinitrobenzene?
The CAS number of 1,3,5-Trinitrobenzene is 99-35-4.
What is the molecular formula of 1,3,5-Trinitrobenzene?
The molecular formula of 1,3,5-Trinitrobenzene is C6H3N3O6.
What is the molecular weight of 1,3,5-Trinitrobenzene?
The molecular weight of 1,3,5-Trinitrobenzene is 213.00218 g/mol.
What are the applications of 1,3,5-Trinitrobenzene?
1,3,5-Trinitrobenzene is used in imaging, photographic, and photosensitive formulations, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy 1,3,5-Trinitrobenzene?
You can request a quote for 1,3,5-Trinitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,5-Trinitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,3,5-Trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.