alpha-Iodo-m-nitrotoluene
TL;DR: alpha-Iodo-m-nitrotoluene (CAS 3958-56-3) 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.
1-(iodomethyl)-3-nitrobenzene
Also Known As: alpha-Iodo-m-nitrotoluene, 3-Nitrobenzyl iodide, m-Nitrobenzyliodide, 1-(Iodomethyl)-3-nitrobenzene, 1-Nitro-3-(iodomethyl)benzene
| Molecular Formula | C7H6INO2 |
|---|---|
| Molecular Weight | 262.94 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.94434 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 3958-56-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CI |
| InChIKey | VMRVVTVWRDVDAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Iodo-m-nitrotoluene (CAS 3958-56-3), with molecular formula C7H6INO2 and molecular weight 262.94 g/mol. IUPAC: 1-(iodomethyl)-3-nitrobenzene.
Chemical Property Profile of alpha-Iodo-m-nitrotoluene
Property Insights of alpha-Iodo-m-nitrotoluene
The XLogP value of 3.1 indicates that alpha-Iodo-m-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, alpha-Iodo-m-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Iodo-m-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 alpha-Iodo-m-nitrotoluene?
The CAS number of alpha-Iodo-m-nitrotoluene is 3958-56-3.
What is the molecular formula of alpha-Iodo-m-nitrotoluene?
The molecular formula of alpha-Iodo-m-nitrotoluene is C7H6INO2.
What is the molecular weight of alpha-Iodo-m-nitrotoluene?
The molecular weight of alpha-Iodo-m-nitrotoluene is 262.94 g/mol.
Where can I buy alpha-Iodo-m-nitrotoluene?
You can request a quote for alpha-Iodo-m-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Iodo-m-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for alpha-Iodo-m-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.