2-Methyl-4-nitroaniline
TL;DR: 2-Methyl-4-nitroaniline (CAS 99-52-5) 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.
2-methyl-4-nitroaniline
Also Known As: 2-Methyl-4-nitroaniline, 2-Amino-5-nitrotoluene, 4-Nitro-o-toluidine, p-Nitro-o-toluidine, 5-Nitro-2-aminotoluene
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 1.1 |
| 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 | 268 to 132.8 °C |
| Density | 1.1586 at 140.0 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 99-52-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])N |
| InChIKey | XTTIQGSLJBWVIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4-nitroaniline (CAS 99-52-5), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: 2-methyl-4-nitroaniline.
Chemical Property Profile of 2-Methyl-4-nitroaniline
Property Insights of 2-Methyl-4-nitroaniline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-nitroaniline. Following Lipinski's Rule of Five, 2-Methyl-4-nitroaniline 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 2-Methyl-4-nitroaniline?
The CAS number of 2-Methyl-4-nitroaniline is 99-52-5.
What is the molecular formula of 2-Methyl-4-nitroaniline?
The molecular formula of 2-Methyl-4-nitroaniline is C7H8N2O2.
What is the molecular weight of 2-Methyl-4-nitroaniline?
The molecular weight of 2-Methyl-4-nitroaniline is 152.06 g/mol.
Where can I buy 2-Methyl-4-nitroaniline?
You can request a quote for 2-Methyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.