2,4-Dimethylaniline
TL;DR: 2,4-Dimethylaniline (CAS 95-68-1) is a chemical compound with molecular formula C8H11N and molecular weight 121.08915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethylaniline
Also Known As: 2,4-Dimethylaniline, m-Xylidine, 2,4-XYLIDINE, 2,4-Dimethyl aniline, m-4-Xylidine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11N |
| Molecular Weight | 121.08915 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.08915 Da |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Melting Point | 61 °F (NTP, 1992) |
| Boiling Point | 417 °F at 760 mmHg (NTP, 1992) |
| Density | 0.978 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 205 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 126.7 °F ; 5 mmHg at 175.6 °F; 760 mmHg at 412.7 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5569 @ 20 °C/D |
| Solubility | 1 to 5 mg/mL at 63 °F (NTP, 1992) |
| SMILES | CC1=CC(=C(C=C1)N)C |
| InChIKey | CZZZABOKJQXEBO-UHFFFAOYSA-N |
Product Description
Applications: 2,4-Dimethylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4-Dimethylaniline (CAS 95-68-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,4-Dimethylaniline is a heterocyclic building block identified by CAS number 95-68-1 and the molecular formula C8H11N and a molecular weight of 121.09 g/mol. Physically, the compound has a density of 0.978 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: 1 to 5 mg/mL at 63 °F (NTP, 1992). It is also known as 2,4-Dimethylaniline and m-Xylidine.
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 2,4-Dimethylaniline
Property Insights of 2,4-Dimethylaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2,4-Dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylaniline 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 2,4-Dimethylaniline?
The CAS number of 2,4-Dimethylaniline is 95-68-1.
What is the molecular formula of 2,4-Dimethylaniline?
The molecular formula of 2,4-Dimethylaniline is C8H11N.
What is the molecular weight of 2,4-Dimethylaniline?
The molecular weight of 2,4-Dimethylaniline is 121.08915 g/mol.
What are the applications of 2,4-Dimethylaniline?
2,4-Dimethylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4-Dimethylaniline (CAS 95-68-1)...
Where can I buy 2,4-Dimethylaniline?
You can request a quote for 2,4-Dimethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dimethylaniline?
Yes, CoreyChem provides custom synthesis services for 2,4-Dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.