1,4-Dinitrobenzene
TL;DR: 1,4-Dinitrobenzene (CAS 100-25-4) 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.
1,4-dinitrobenzene
Also Known As: 1,4-Dinitrobenzene, P-DINITROBENZENE, Benzene, 1,4-dinitro-, Benzene, p-dinitro-, Dithane A-4
Application Areas
Top 5 of 20 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 | 165.0 |
| Melting Point | 343.4 °F (USCG, 1999) |
| Boiling Point | 570.2 °F at 760 mmHg (USCG, 1999) |
| Density | 1.625 at 64.4 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 302 °F (USCG, 1999) |
| Vapor Pressure | 0.0000261 [mmHg] |
| Solubility | 0.01 % (NIOSH, 2024) |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FYFDQJRXFWGIBS-UHFFFAOYSA-N |
Product Description
Applications: 1,4-Dinitrobenzene is used in imaging, photographic, and photosensitive formulations, as well as complex organic molecule assembly across discovery and process chemistry. 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).
1,4-Dinitrobenzene is a photographic chemical identified by CAS number 100-25-4 and the molecular formula C6H4N2O4 and a molecular weight of 168.02 g/mol. Physically, the compound has a density of 1.625 at 64.4 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: 0.01 % (NIOSH, 2024). Synonyms include 1,4-Dinitrobenzene and P-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 1,4-Dinitrobenzene
Property Insights of 1,4-Dinitrobenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dinitrobenzene. Following Lipinski's Rule of Five, 1,4-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 1,4-Dinitrobenzene?
The CAS number of 1,4-Dinitrobenzene is 100-25-4.
What is the molecular formula of 1,4-Dinitrobenzene?
The molecular formula of 1,4-Dinitrobenzene is C6H4N2O4.
What is the molecular weight of 1,4-Dinitrobenzene?
The molecular weight of 1,4-Dinitrobenzene is 168.0171 g/mol.
What are the applications of 1,4-Dinitrobenzene?
1,4-Dinitrobenzene is used in imaging, photographic, and photosensitive formulations, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,4-Dinitrobenzene?
You can request a quote for 1,4-Dinitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dinitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,4-Dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.