2-Fluorotoluene
TL;DR: 2-Fluorotoluene (CAS 95-52-3) is a chemical compound with molecular formula C7H7F and molecular weight 110.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-methylbenzene
Also Known As: 2-Fluorotoluene, O-FLUOROTOLUENE, 1-Fluoro-2-methylbenzene, Toluene, o-fluoro-, 1-Methyl-2-fluorobenzene
| Molecular Formula | C7H7F |
|---|---|
| Molecular Weight | 110.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.05318 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
| Melting Point | -62.0 °C |
| Boiling Point | 114.0 °C at 760 mmHg |
| Density | 1.0041 at 13.0 °C |
| Flash Point | 12.8 °C |
| Vapor Pressure | 47.05 mmHg |
Chemical Identifiers
| CAS Number | 95-52-3 |
|---|---|
| SMILES | CC1=CC=CC=C1F |
| InChIKey | MMZYCBHLNZVROM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluorotoluene (CAS 95-52-3), with molecular formula C7H7F and molecular weight 110.05 g/mol. IUPAC: 1-fluoro-2-methylbenzene.
Chemical Property Profile of 2-Fluorotoluene
Property Insights of 2-Fluorotoluene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluorotoluene. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Fluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 2-Fluorotoluene?
The CAS number of 2-Fluorotoluene is 95-52-3.
What is the molecular formula of 2-Fluorotoluene?
The molecular formula of 2-Fluorotoluene is C7H7F.
What is the molecular weight of 2-Fluorotoluene?
The molecular weight of 2-Fluorotoluene is 110.05 g/mol.
Where can I buy 2-Fluorotoluene?
You can request a quote for 2-Fluorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.