2-Methyl-3-nitroaniline
TL;DR: 2-Methyl-3-nitroaniline (CAS 603-83-8) 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-3-nitroaniline
Also Known As: 2-Methyl-3-nitroaniline, 2-Amino-6-nitrotoluene, 3-NITRO-O-TOLUIDINE, 2-methyl-3-nitro-aniline, Benzenamine, 2-methyl-3-nitro-
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.05858 g/mol |
| XLogP | 1.8 |
| 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 | 198 °F (NTP, 1992) |
| Boiling Point | 581 °F at 760 mmHg (decomposes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])N |
| InChIKey | HFCFJYRLBAANKN-UHFFFAOYSA-N |
Product Description
Applications: 2-Methyl-3-nitroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Methyl-3-nitroaniline is a heterocyclic building block identified by CAS number 603-83-8 and the molecular formula C7H8N2O2 and a molecular weight of 152.06 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 73 °F (NTP, 1992). Synonyms include 2-Methyl-3-nitroaniline and 2-Amino-6-nitrotoluene.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation 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-3-nitroaniline
Property Insights of 2-Methyl-3-nitroaniline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-nitroaniline. Following Lipinski's Rule of Five, 2-Methyl-3-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-3-nitroaniline?
The CAS number of 2-Methyl-3-nitroaniline is 603-83-8.
What is the molecular formula of 2-Methyl-3-nitroaniline?
The molecular formula of 2-Methyl-3-nitroaniline is C7H8N2O2.
What is the molecular weight of 2-Methyl-3-nitroaniline?
The molecular weight of 2-Methyl-3-nitroaniline is 152.05858 g/mol.
What are the applications of 2-Methyl-3-nitroaniline?
2-Methyl-3-nitroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2-Methyl-3-nitroaniline?
You can request a quote for 2-Methyl-3-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-3-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.