2-Bromo-4-fluorotoluene
TL;DR: 2-Bromo-4-fluorotoluene (CAS 1422-53-3) is a chemical compound with molecular formula C7H6BrF and molecular weight 187.96368 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-4-fluoro-1-methylbenzene
Also Known As: 2-Bromo-4-fluorotoluene, 2-Bromo-4-fluoro-1-methylbenzene, 4-fluoro-2-bromotoluene, Benzene, 2-bromo-4-fluoro-1-methyl-, 2-bromo4-fluorotoluene
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6BrF |
| Molecular Weight | 187.96368 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.96368 Da |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| SMILES | CC1=C(C=C(C=C1)F)Br |
| InChIKey | SFGFOJPGCOYQJK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-4-fluorotoluene
Property Insights of 2-Bromo-4-fluorotoluene
The XLogP value of 3.1 indicates that 2-Bromo-4-fluorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Bromo-4-fluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-fluorotoluene has 0 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-fluorotoluene?
The CAS number of 2-Bromo-4-fluorotoluene is 1422-53-3.
What is the molecular formula of 2-Bromo-4-fluorotoluene?
The molecular formula of 2-Bromo-4-fluorotoluene is C7H6BrF.
What is the molecular weight of 2-Bromo-4-fluorotoluene?
The molecular weight of 2-Bromo-4-fluorotoluene is 187.96368 g/mol.
Where can I buy 2-Bromo-4-fluorotoluene?
You can request a quote for 2-Bromo-4-fluorotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-4-fluorotoluene?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-4-fluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.