6-Nitro-m-toluidine
TL;DR: 6-Nitro-m-toluidine (CAS 578-46-1) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-nitroaniline
Also Known As: 5-Methyl-2-nitroaniline, 3-AMINO-4-NITROTOLUENE, 6-Nitro-m-toluidine, m-Toluidine, 6-nitro-, 5-Methyl-o-nitroaniline
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| Melting Point | 112.2 °C |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 578-46-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])N |
| InChIKey | IGDYNWKWXUCIJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-m-toluidine (CAS 578-46-1), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: 5-methyl-2-nitroaniline.
Chemical Property Profile of 6-Nitro-m-toluidine
Property Insights of 6-Nitro-m-toluidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-m-toluidine. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-m-toluidine. Following Lipinski's Rule of Five, 6-Nitro-m-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-Nitro-m-toluidine?
The CAS number of 6-Nitro-m-toluidine is 578-46-1.
What is the molecular formula of 6-Nitro-m-toluidine?
The molecular formula of 6-Nitro-m-toluidine is C7H8N2O2.
What is the molecular weight of 6-Nitro-m-toluidine?
The molecular weight of 6-Nitro-m-toluidine is 152.06 g/mol.
Where can I buy 6-Nitro-m-toluidine?
You can request a quote for 6-Nitro-m-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-m-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-m-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.