3-Bromo-4-fluorotoluene
TL;DR: 3-Bromo-4-fluorotoluene (CAS 452-62-0) is a chemical compound with molecular formula C7H6BrF and molecular weight 187.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-fluoro-4-methylbenzene
Also Known As: 3-Bromo-4-fluorotoluene, 2-bromo-1-fluoro-4-methylbenzene, 4-fluoro-3-bromotoluene, 2-Fluorobenzyl bromide, 3-bromo-4-fluoro toluene
| Molecular Formula | C7H6BrF |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.96368 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 452-62-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)F)Br |
| InChIKey | QLRKALMVPCQTMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4-fluorotoluene (CAS 452-62-0), with molecular formula C7H6BrF and molecular weight 187.96 g/mol. IUPAC: 2-bromo-1-fluoro-4-methylbenzene.
Chemical Property Profile of 3-Bromo-4-fluorotoluene
Property Insights of 3-Bromo-4-fluorotoluene
The XLogP value of 3.1 indicates that 3-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, 3-Bromo-4-fluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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
Frequently Asked Questions
What is the CAS number of 3-Bromo-4-fluorotoluene?
The CAS number of 3-Bromo-4-fluorotoluene is 452-62-0.
What is the molecular formula of 3-Bromo-4-fluorotoluene?
The molecular formula of 3-Bromo-4-fluorotoluene is C7H6BrF.
What is the molecular weight of 3-Bromo-4-fluorotoluene?
The molecular weight of 3-Bromo-4-fluorotoluene is 187.96 g/mol.
Where can I buy 3-Bromo-4-fluorotoluene?
You can request a quote for 3-Bromo-4-fluorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-fluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-fluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.