6-Chloro-4-nitro-o-toluidine
TL;DR: 6-Chloro-4-nitro-o-toluidine (CAS 13852-51-2) is a chemical compound with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methyl-4-nitroaniline
Also Known As: 5-Chloro-2-methyl-4-nitroaniline, 2-Amino-4-chloro-5-nitrotoluene, 5-Chloro-4-nitro-o-toluidine, 6-Chloro-4-nitro-o-toluidine, 2-Methyl-4-nitro-5-chloroaniline
| Molecular Formula | C7H7ClN2O2 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.0196 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 13852-51-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)Cl)[N+](=O)[O-] |
| InChIKey | OKOSGBYZOWWAPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-4-nitro-o-toluidine (CAS 13852-51-2), with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol. IUPAC: 5-chloro-2-methyl-4-nitroaniline.
Chemical Property Profile of 6-Chloro-4-nitro-o-toluidine
Property Insights of 6-Chloro-4-nitro-o-toluidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-4-nitro-o-toluidine. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-4-nitro-o-toluidine. Following Lipinski's Rule of Five, 6-Chloro-4-nitro-o-toluidine has 1 hydrogen bond donor(s) and 3 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 6-Chloro-4-nitro-o-toluidine?
The CAS number of 6-Chloro-4-nitro-o-toluidine is 13852-51-2.
What is the molecular formula of 6-Chloro-4-nitro-o-toluidine?
The molecular formula of 6-Chloro-4-nitro-o-toluidine is C7H7ClN2O2.
What is the molecular weight of 6-Chloro-4-nitro-o-toluidine?
The molecular weight of 6-Chloro-4-nitro-o-toluidine is 186.02 g/mol.
Where can I buy 6-Chloro-4-nitro-o-toluidine?
You can request a quote for 6-Chloro-4-nitro-o-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-4-nitro-o-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-4-nitro-o-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.