O-Toluidine
TL;DR: O-Toluidine (CAS 95-53-4) is a chemical compound with molecular formula C7H9N and molecular weight 107.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylaniline
Also Known As: o-Toluidine, 2-Methylaniline, 2-Toluidine, o-Tolylamine, o-Methylaniline
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9N |
| Molecular Weight | 107.0735 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.0735 Da |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
| Melting Point | 2.7 °F (NTP, 1992) |
| Boiling Point | 392 to 396 °F at 760 mmHg (NTP, 1992) |
| Density | 0.998 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 185 °F (NTP, 1992) |
| Vapor Pressure | 0.1 mmHg at 68 °F ; 0.3 mmHg at 86 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5688 at 20 °C/D |
| Solubility | 5 to 10 mg/mL at 59 °F (NTP, 1992) |
| SMILES | CC1=CC=CC=C1N |
| InChIKey | RNVCVTLRINQCPJ-UHFFFAOYSA-N |
Product Description
Applications: O-Toluidine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies O-Toluidine (CAS 95-53-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
O-Toluidine is a pharmaceutical intermediate identified by CAS number 95-53-4 and the molecular formula C7H9N and a molecular weight of 107.07 g/mol. Physically, the compound has a density of 0.998 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 5 to 10 mg/mL at 59 °F (NTP, 1992). It is also known as o-Toluidine and 2-Methylaniline.
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 O-Toluidine
Property Insights of O-Toluidine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Toluidine. With a topological polar surface area (TPSA) of 26.0 Ų, O-Toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Toluidine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of O-Toluidine?
The CAS number of O-Toluidine is 95-53-4.
What is the molecular formula of O-Toluidine?
The molecular formula of O-Toluidine is C7H9N.
What is the molecular weight of O-Toluidine?
The molecular weight of O-Toluidine is 107.0735 g/mol.
What are the applications of O-Toluidine?
O-Toluidine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies O-Toluidine (CAS 95-53-4) with custom...
Where can I buy O-Toluidine?
You can request a quote for O-Toluidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-Toluidine?
Yes, CoreyChem provides custom synthesis services for O-Toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.