3-Chloro-2-iodotoluene
TL;DR: 3-Chloro-2-iodotoluene (CAS 51000-30-7) is a chemical compound with molecular formula C7H6ClI and molecular weight 251.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-iodo-3-methylbenzene
Also Known As: 3-Chloro-2-iodotoluene, 1-chloro-2-iodo-3-methylbenzene, Toluene, 3-chloro-2-iodo-, Benzene, 1-chloro-2-iodo-3-methyl-, 1-chloro-2-iodo-3-methyl-benzene
| Molecular Formula | C7H6ClI |
|---|---|
| Molecular Weight | 251.92 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.92027 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 51000-30-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)I |
| InChIKey | FTGLKPMFTLNUBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-iodotoluene (CAS 51000-30-7), with molecular formula C7H6ClI and molecular weight 251.92 g/mol. IUPAC: 1-chloro-2-iodo-3-methylbenzene.
Chemical Property Profile of 3-Chloro-2-iodotoluene
Property Insights of 3-Chloro-2-iodotoluene
The XLogP value of 3.6 indicates that 3-Chloro-2-iodotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-2-iodotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-iodotoluene has 0 hydrogen bond donor(s) and 0 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 3-Chloro-2-iodotoluene?
The CAS number of 3-Chloro-2-iodotoluene is 51000-30-7.
What is the molecular formula of 3-Chloro-2-iodotoluene?
The molecular formula of 3-Chloro-2-iodotoluene is C7H6ClI.
What is the molecular weight of 3-Chloro-2-iodotoluene?
The molecular weight of 3-Chloro-2-iodotoluene is 251.92 g/mol.
Where can I buy 3-Chloro-2-iodotoluene?
You can request a quote for 3-Chloro-2-iodotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-iodotoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-iodotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.