1,4-二硝基苯
TL;DR: 1,4-二硝基苯 (CAS 100-25-4) is a chemical compound with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-二硝基苯
1,4-dinitrobenzene
Also Known As: 1,4-Dinitrobenzene, P-DINITROBENZENE, Benzene, 1,4-dinitro-, Benzene, p-dinitro-, Dithane A-4
| Molecular Formula | C6H4N2O4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.0171 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| Melting Point | 173.0 °C |
| Boiling Point | 299.0 °C at 760 mmHg |
| Density | 1.625 at 18.0 °C |
| Solubility | 0.01 % (NIOSH, 2024) |
| Flash Point | 150.0 °C |
| Vapor Pressure | 0.0000261 [mmHg] |
Chemical Identifiers
| CAS Number | 100-25-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FYFDQJRXFWGIBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-二硝基苯 (CAS 100-25-4), with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol. IUPAC: 1,4-dinitrobenzene.
Chemical Property Profile of 1,4-二硝基苯
Property Insights of 1,4-二硝基苯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-二硝基苯. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-二硝基苯. Following Lipinski's Rule of Five, 1,4-二硝基苯 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
Frequently Asked Questions
What is the CAS number of 1,4-二硝基苯?
The CAS number of 1,4-二硝基苯 is 100-25-4.
What is the molecular formula of 1,4-二硝基苯?
The molecular formula of 1,4-二硝基苯 is C6H4N2O4.
What is the molecular weight of 1,4-二硝基苯?
The molecular weight of 1,4-二硝基苯 is 168.02 g/mol.
Where can I buy 1,4-二硝基苯?
You can request a quote for 1,4-二硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-二硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-二硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.