1-Chloro-2,4-dinitronaphthalene
TL;DR: 1-Chloro-2,4-dinitronaphthalene (CAS 2401-85-6) is a chemical compound with molecular formula C10H5ClN2O4 and molecular weight 251.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,4-dinitronaphthalene
Also Known As: 1-CHLORO-2,4-DINITRONAPHTHALENE, Chlorodinitronaphthalene, Didodecyl fumarate, Naphthalene, 1-chloro-2,4-dinitro-, 2,4-Dinitro-1-naphthyl chloride
| Molecular Formula | C10H5ClN2O4 |
|---|---|
| Molecular Weight | 251.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.99379 |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
| Melting Point | 146.5 °C |
Chemical Identifiers
| CAS Number | 2401-85-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SKKUAUZTZZRYPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2,4-dinitronaphthalene (CAS 2401-85-6), with molecular formula C10H5ClN2O4 and molecular weight 251.99 g/mol. IUPAC: 1-chloro-2,4-dinitronaphthalene.
Chemical Property Profile of 1-Chloro-2,4-dinitronaphthalene
Property Insights of 1-Chloro-2,4-dinitronaphthalene
The XLogP value of 3.5 indicates that 1-Chloro-2,4-dinitronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-2,4-dinitronaphthalene. Following Lipinski's Rule of Five, 1-Chloro-2,4-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-Chloro-2,4-dinitronaphthalene?
The CAS number of 1-Chloro-2,4-dinitronaphthalene is 2401-85-6.
What is the molecular formula of 1-Chloro-2,4-dinitronaphthalene?
The molecular formula of 1-Chloro-2,4-dinitronaphthalene is C10H5ClN2O4.
What is the molecular weight of 1-Chloro-2,4-dinitronaphthalene?
The molecular weight of 1-Chloro-2,4-dinitronaphthalene is 251.99 g/mol.
Where can I buy 1-Chloro-2,4-dinitronaphthalene?
You can request a quote for 1-Chloro-2,4-dinitronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2,4-dinitronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,4-dinitronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.