O-Phenylenediamine
TL;DR: O-Phenylenediamine (CAS 95-54-5) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.06875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene-1,2-diamine
Also Known As: O-PHENYLENEDIAMINE, benzene-1,2-diamine, 1,2-Phenylenediamine, 2-Aminoaniline, 1,2-Diaminobenzene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8N2 |
| Molecular Weight | 108.06875 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.06875 Da |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Melting Point | 216 to 219 °F (NTP, 1992) |
| Boiling Point | 493 to 496 °F at 760 mmHg (NTP, 1992) |
| Flash Point | 313 °F (NFPA, 2010) |
| Vapor Pressure | 2.06X10-3 mm Hg at 25 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1=CC=C(C(=C1)N)N |
| InChIKey | GEYOCULIXLDCMW-UHFFFAOYSA-N |
Product Description
Applications: O-Phenylenediamine 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-Phenylenediamine (CAS 95-54-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
O-Phenylenediamine (CAS 95-54-5) is a pharmaceutical intermediate with the molecular formula C6H8N2 and a molecular weight of 108.07 g/mol. Key physical properties include a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). It is also known as O-PHENYLENEDIAMINE and benzene-1,2-diamine.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of O-Phenylenediamine
Property Insights of O-Phenylenediamine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Phenylenediamine. With a topological polar surface area (TPSA) of 52.0 Ų, O-Phenylenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Phenylenediamine has 2 hydrogen bond donor(s) and 2 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-Phenylenediamine?
The CAS number of O-Phenylenediamine is 95-54-5.
What is the molecular formula of O-Phenylenediamine?
The molecular formula of O-Phenylenediamine is C6H8N2.
What is the molecular weight of O-Phenylenediamine?
The molecular weight of O-Phenylenediamine is 108.06875 g/mol.
What are the applications of O-Phenylenediamine?
O-Phenylenediamine 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-Phenylenediamine (CAS 95-54-5)...
Where can I buy O-Phenylenediamine?
You can request a quote for O-Phenylenediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-Phenylenediamine?
Yes, CoreyChem provides custom synthesis services for O-Phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.