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 152.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.05858 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.05858 Da |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| Melting Point | 268 to 271 °F (NTP, 1992) |
| Density | 1.1586 at 284 °F (NTP, 1992) - Denser than water; will sink |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])N |
| InChIKey | XTTIQGSLJBWVIV-UHFFFAOYSA-N |
Product Description
Applications: 2-Methyl-4-nitroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as dye and pigment synthesis and coloration chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methyl-4-nitroaniline (CAS 99-52-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Methyl-4-nitroaniline (CAS 99-52-5) is a heterocyclic building block with the molecular formula C7H8N2O2 and a molecular weight of 152.06 g/mol. Key physical properties include a density of 1.1586 at 284 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). It is also known as 2-Methyl-4-nitroaniline and 2-Amino-5-nitrotoluene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 152.05858 g/mol.
What are the applications of 2-Methyl-4-nitroaniline?
2-Methyl-4-nitroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as dye and pigment synthesis and coloration chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methyl-4-nitroaniline (CAS...
Where can I buy 2-Methyl-4-nitroaniline?
You can request a quote for 2-Methyl-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.