3-Bromo-2-fluorotoluene
TL;DR: 3-Bromo-2-fluorotoluene (CAS 59907-12-9) 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.
1-bromo-2-fluoro-3-methylbenzene
Also Known As: 3-Bromo-2-fluorotoluene, 1-Bromo-2-fluoro-3-methylbenzene, 1-Bromo-2-fluoro-3-methyl-benzene, a-bromo-a-fluorotoluene, Benzene, 1-bromo-2-fluoro-3-methyl-
| 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 | 59907-12-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Br)F |
| InChIKey | LZVNGSFAHGKCDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-2-fluorotoluene (CAS 59907-12-9), with molecular formula C7H6BrF and molecular weight 187.96 g/mol. IUPAC: 1-bromo-2-fluoro-3-methylbenzene.
Chemical Property Profile of 3-Bromo-2-fluorotoluene
Property Insights of 3-Bromo-2-fluorotoluene
The XLogP value of 3.1 indicates that 3-Bromo-2-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-2-fluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-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-2-fluorotoluene?
The CAS number of 3-Bromo-2-fluorotoluene is 59907-12-9.
What is the molecular formula of 3-Bromo-2-fluorotoluene?
The molecular formula of 3-Bromo-2-fluorotoluene is C7H6BrF.
What is the molecular weight of 3-Bromo-2-fluorotoluene?
The molecular weight of 3-Bromo-2-fluorotoluene is 187.96 g/mol.
Where can I buy 3-Bromo-2-fluorotoluene?
You can request a quote for 3-Bromo-2-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-2-fluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-fluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.