2,6-Dichloro-3-nitrotoluene
TL;DR: 2,6-Dichloro-3-nitrotoluene (CAS 29682-46-0) is a chemical compound with molecular formula C7H5Cl2NO2 and molecular weight 204.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-2-methyl-4-nitrobenzene
Also Known As: 2,6-Dichloro-3-nitrotoluene, 1,3-Dichloro-2-methyl-4-nitrobenzene, Benzene, 1,3-dichloro-2-methyl-4-nitro-, WBNZUUIFTPNYRN-UHFFFAOYSA-, 2,6-Dichlor-3-nitro-toluol
| Molecular Formula | C7H5Cl2NO2 |
|---|---|
| Molecular Weight | 204.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.96973 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 29682-46-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1Cl)[N+](=O)[O-])Cl |
| InChIKey | WBNZUUIFTPNYRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dichloro-3-nitrotoluene (CAS 29682-46-0), with molecular formula C7H5Cl2NO2 and molecular weight 204.97 g/mol. IUPAC: 1,3-dichloro-2-methyl-4-nitrobenzene.
Chemical Property Profile of 2,6-Dichloro-3-nitrotoluene
Property Insights of 2,6-Dichloro-3-nitrotoluene
The XLogP value of 3.4 indicates that 2,6-Dichloro-3-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, 2,6-Dichloro-3-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichloro-3-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 2,6-Dichloro-3-nitrotoluene?
The CAS number of 2,6-Dichloro-3-nitrotoluene is 29682-46-0.
What is the molecular formula of 2,6-Dichloro-3-nitrotoluene?
The molecular formula of 2,6-Dichloro-3-nitrotoluene is C7H5Cl2NO2.
What is the molecular weight of 2,6-Dichloro-3-nitrotoluene?
The molecular weight of 2,6-Dichloro-3-nitrotoluene is 204.97 g/mol.
Where can I buy 2,6-Dichloro-3-nitrotoluene?
You can request a quote for 2,6-Dichloro-3-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichloro-3-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichloro-3-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.