1,3-Dinitrobenzene
TL;DR: 1,3-Dinitrobenzene (CAS 99-65-0) is a chemical compound with molecular formula C6H4N2O4 and molecular weight 168.0171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dinitrobenzene
Also Known As: 1,3-Dinitrobenzene, M-DINITROBENZENE, 2,4-Dinitrobenzene, meta-Dinitrobenzene, Dinitrobenzene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4N2O4 |
| Molecular Weight | 168.0171 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.0171 Da |
| Heavy Atoms | 12 |
| Complexity | 175.0 |
| Melting Point | 194 °F (NTP, 1992) |
| Boiling Point | 556 °F at 756 mmHg (NTP, 1992) |
| Density | 1.58 at 64.4 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 302 °F (NIOSH, 2024) |
| Vapor Pressure | 0.0002 [mmHg] |
| Solubility | 0.02 % (NIOSH, 2024) |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WDCYWAQPCXBPJA-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Dinitrobenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as imaging, photographic, and photosensitive formulations. 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 organic building block supplied by CoreyChem, 1,3-Dinitrobenzene (CAS 99-65-0) has the molecular formula C6H4N2O4 and a molecular weight of 168.02 g/mol. Reported properties include a density of 1.58 at 64.4 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: 0.02 % (NIOSH, 2024). Synonyms include 1,3-Dinitrobenzene and M-DINITROBENZENE.
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-Dinitrobenzene
Property Insights of 1,3-Dinitrobenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitrobenzene. Following Lipinski's Rule of Five, 1,3-Dinitrobenzene has 0 hydrogen bond donor(s) and 4 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-Dinitrobenzene?
The CAS number of 1,3-Dinitrobenzene is 99-65-0.
What is the molecular formula of 1,3-Dinitrobenzene?
The molecular formula of 1,3-Dinitrobenzene is C6H4N2O4.
What is the molecular weight of 1,3-Dinitrobenzene?
The molecular weight of 1,3-Dinitrobenzene is 168.0171 g/mol.
What are the applications of 1,3-Dinitrobenzene?
1,3-Dinitrobenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,3-Dinitrobenzene?
You can request a quote for 1,3-Dinitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dinitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,3-Dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.