4-Iodo-2-nitrotoluene
TL;DR: 4-Iodo-2-nitrotoluene (CAS 9028-72-2) is a chemical compound with molecular formula C7H6INO2 and molecular weight 262.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-1-methyl-2-nitrobenzene
Also Known As: 4-Iodo-2-nitrotoluene, 4-iodo-1-methyl-2-nitrobenzene, Cloxypendyl, 2-nitro-4-iodotoluol, 2-Nitro-4-iodotoluene
| Molecular Formula | C7H6INO2 |
|---|---|
| Molecular Weight | 262.94 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.94434 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 9028-72-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)I)[N+](=O)[O-] |
| InChIKey | QLMRDNPXYNJQMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Iodo-2-nitrotoluene (CAS 9028-72-2), with molecular formula C7H6INO2 and molecular weight 262.94 g/mol. IUPAC: 4-iodo-1-methyl-2-nitrobenzene.
Chemical Property Profile of 4-Iodo-2-nitrotoluene
Property Insights of 4-Iodo-2-nitrotoluene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodo-2-nitrotoluene. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Iodo-2-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodo-2-nitrotoluene has 0 hydrogen bond donor(s) and 2 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 4-Iodo-2-nitrotoluene?
The CAS number of 4-Iodo-2-nitrotoluene is 9028-72-2.
What is the molecular formula of 4-Iodo-2-nitrotoluene?
The molecular formula of 4-Iodo-2-nitrotoluene is C7H6INO2.
What is the molecular weight of 4-Iodo-2-nitrotoluene?
The molecular weight of 4-Iodo-2-nitrotoluene is 262.94 g/mol.
Where can I buy 4-Iodo-2-nitrotoluene?
You can request a quote for 4-Iodo-2-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodo-2-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodo-2-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.