2-Bromo-4-methylaniline
TL;DR: 2-Bromo-4-methylaniline (CAS 583-68-6) is a chemical compound with molecular formula C7H8BrN and molecular weight 184.98401 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-4-methylaniline
Also Known As: 2-Bromo-4-methylaniline, 2-Bromo-p-toluidine, Benzenamine, 2-bromo-4-methyl-, 4-Amino-3-bromotoluene, 2-Bromotoluidine
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8BrN |
| Molecular Weight | 184.98401 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.98401 Da |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| SMILES | CC1=CC(=C(C=C1)N)Br |
| InChIKey | UVRRJILIXQAAFK-UHFFFAOYSA-N |
Product Description
Applications: 2-Bromo-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. CoreyChem supplies 2-Bromo-4-methylaniline (CAS 583-68-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 2-Bromo-4-methylaniline (CAS 583-68-6) has the molecular formula C7H8BrN and a molecular weight of 184.98 g/mol. It is also known as 2-Bromo-4-methylaniline and 2-Bromo-p-toluidine.
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 2-Bromo-4-methylaniline
Property Insights of 2-Bromo-4-methylaniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4-methylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Bromo-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-methylaniline 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-Bromo-4-methylaniline?
The CAS number of 2-Bromo-4-methylaniline is 583-68-6.
What is the molecular formula of 2-Bromo-4-methylaniline?
The molecular formula of 2-Bromo-4-methylaniline is C7H8BrN.
What is the molecular weight of 2-Bromo-4-methylaniline?
The molecular weight of 2-Bromo-4-methylaniline is 184.98401 g/mol.
What are the applications of 2-Bromo-4-methylaniline?
2-Bromo-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. CoreyChem supplies 2-Bromo-4-methylaniline (CAS...
Where can I buy 2-Bromo-4-methylaniline?
You can request a quote for 2-Bromo-4-methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-4-methylaniline?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.