4-Bromoaniline
TL;DR: 4-Bromoaniline (CAS 106-40-1) is a chemical compound with molecular formula C6H6BrN and molecular weight 170.96835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromoaniline
Also Known As: 4-Bromoaniline, P-BROMOANILINE, 4-Bromobenzenamine, p-Bromophenylamine, Benzenamine, 4-bromo-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6BrN |
| Molecular Weight | 170.96835 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.96835 Da |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | 151.5 °F (NTP, 1992) |
| Boiling Point | Decomposes (NTP, 1992) |
| Density | 1.497 at 212 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.04 [mmHg] |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1N)Br |
| InChIKey | WDFQBORIUYODSI-UHFFFAOYSA-N |
Product Description
Applications: 4-Bromoaniline 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 4-Bromoaniline (CAS 106-40-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Bromoaniline is a heterocyclic building block identified by CAS number 106-40-1 and the molecular formula C6H6BrN and a molecular weight of 170.97 g/mol. Physically, the compound has a density of 1.497 at 212 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 73 °F (NTP, 1992). It is also known as 4-Bromoaniline and P-BROMOANILINE.
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 4-Bromoaniline
Property Insights of 4-Bromoaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromoaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Bromoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromoaniline 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 4-Bromoaniline?
The CAS number of 4-Bromoaniline is 106-40-1.
What is the molecular formula of 4-Bromoaniline?
The molecular formula of 4-Bromoaniline is C6H6BrN.
What is the molecular weight of 4-Bromoaniline?
The molecular weight of 4-Bromoaniline is 170.96835 g/mol.
What are the applications of 4-Bromoaniline?
4-Bromoaniline 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 4-Bromoaniline (CAS 106-40-1) with...
Where can I buy 4-Bromoaniline?
You can request a quote for 4-Bromoaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromoaniline?
Yes, CoreyChem provides custom synthesis services for 4-Bromoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.