2-Chloro-4-fluorotoluene
TL;DR: 2-Chloro-4-fluorotoluene (CAS 452-73-3) is a chemical compound with molecular formula C7H6ClF and molecular weight 144.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-fluoro-1-methylbenzene
Also Known As: 2-Chloro-4-fluorotoluene, 2-Chloro-4-fluoro-1-methylbenzene, 4-fluoro-2-chlorotoluene, 2-Chloro-4-fluorotolueneC, Benzene, 2-chloro-4-fluoro-1-methyl-
| Molecular Formula | C7H6ClF |
|---|---|
| Molecular Weight | 144.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.0142 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 452-73-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)Cl |
| InChIKey | CSARJIQZOSVYHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-fluorotoluene (CAS 452-73-3), with molecular formula C7H6ClF and molecular weight 144.01 g/mol. IUPAC: 2-chloro-4-fluoro-1-methylbenzene.
Chemical Property Profile of 2-Chloro-4-fluorotoluene
Property Insights of 2-Chloro-4-fluorotoluene
The XLogP value of 3.7 indicates that 2-Chloro-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-Chloro-4-fluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-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 2-Chloro-4-fluorotoluene?
The CAS number of 2-Chloro-4-fluorotoluene is 452-73-3.
What is the molecular formula of 2-Chloro-4-fluorotoluene?
The molecular formula of 2-Chloro-4-fluorotoluene is C7H6ClF.
What is the molecular weight of 2-Chloro-4-fluorotoluene?
The molecular weight of 2-Chloro-4-fluorotoluene is 144.01 g/mol.
Where can I buy 2-Chloro-4-fluorotoluene?
You can request a quote for 2-Chloro-4-fluorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-fluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-fluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.