3-Fluoro-4-methylaniline
TL;DR: 3-Fluoro-4-methylaniline (CAS 452-77-7) is a chemical compound with molecular formula C7H8FN and molecular weight 125.06408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-fluoro-4-methylaniline
Also Known As: 3-Fluoro-4-methylaniline, 3-Fluoro-p-toluidine, 4-Amino-2-fluorotoluene, 2-Fluoro-4-aminotoluene, Benzenamine, 3-fluoro-4-methyl-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8FN |
| Molecular Weight | 125.06408 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.06408 Da |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| SMILES | CC1=C(C=C(C=C1)N)F |
| InChIKey | MGRHBBRSAFPBIN-UHFFFAOYSA-N |
Product Description
Applications: 3-Fluoro-4-methylaniline 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).
3-Fluoro-4-methylaniline is a heterocyclic building block identified by CAS number 452-77-7 and the molecular formula C7H8FN and a molecular weight of 125.06 g/mol. Synonyms include 3-Fluoro-4-methylaniline and 3-Fluoro-p-toluidine.
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 3-Fluoro-4-methylaniline
Property Insights of 3-Fluoro-4-methylaniline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-methylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Fluoro-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-methylaniline has 1 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 3-Fluoro-4-methylaniline?
The CAS number of 3-Fluoro-4-methylaniline is 452-77-7.
What is the molecular formula of 3-Fluoro-4-methylaniline?
The molecular formula of 3-Fluoro-4-methylaniline is C7H8FN.
What is the molecular weight of 3-Fluoro-4-methylaniline?
The molecular weight of 3-Fluoro-4-methylaniline is 125.06408 g/mol.
What are the applications of 3-Fluoro-4-methylaniline?
3-Fluoro-4-methylaniline 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 3-Fluoro-4-methylaniline?
You can request a quote for 3-Fluoro-4-methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Fluoro-4-methylaniline?
Yes, CoreyChem provides custom synthesis services for 3-Fluoro-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.