1,5-Dinitronaphthalene
TL;DR: 1,5-Dinitronaphthalene (CAS 605-71-0) is a chemical compound with molecular formula C10H6N2O4 and molecular weight 218.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dinitronaphthalene
Also Known As: 1,5-DINITRONAPHTHALENE, Naphthalene, 1,5-dinitro-, Naphthalene, dinitro-, DINITRONAPHTHALENE, alpha-Dinitronaphthalene
| Molecular Formula | C10H6N2O4 |
|---|---|
| Molecular Weight | 218.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.03276 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
| Melting Point | 421 to 217.2 °C |
| Boiling Point | Sublimes |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.00000428 [mmHg] |
Chemical Identifiers
| CAS Number | 605-71-0 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)[N+](=O)[O-] |
| InChIKey | ZUTCJXFCHHDFJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dinitronaphthalene (CAS 605-71-0), with molecular formula C10H6N2O4 and molecular weight 218.03 g/mol. IUPAC: 1,5-dinitronaphthalene.
Chemical Property Profile of 1,5-Dinitronaphthalene
Property Insights of 1,5-Dinitronaphthalene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dinitronaphthalene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dinitronaphthalene. Following Lipinski's Rule of Five, 1,5-Dinitronaphthalene 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 1,5-Dinitronaphthalene?
The CAS number of 1,5-Dinitronaphthalene is 605-71-0.
What is the molecular formula of 1,5-Dinitronaphthalene?
The molecular formula of 1,5-Dinitronaphthalene is C10H6N2O4.
What is the molecular weight of 1,5-Dinitronaphthalene?
The molecular weight of 1,5-Dinitronaphthalene is 218.03 g/mol.
Where can I buy 1,5-Dinitronaphthalene?
You can request a quote for 1,5-Dinitronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dinitronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dinitronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.