3-Chloro-4-fluorotoluene
TL;DR: 3-Chloro-4-fluorotoluene (CAS 1513-25-3) 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-1-fluoro-4-methylbenzene
Also Known As: 3-Chloro-4-fluorotoluene, 2-chloro-1-fluoro-4-methylbenzene, 3-chloro-4-fluorotol, Benzene, 2-chloro-1-fluoro-4-methyl-, 2-chloro-1-fluoro-4-methyl-benzene
| Molecular Formula | C7H6ClF |
|---|---|
| Molecular Weight | 144.01 g/mol |
| LogP | 2.78752 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.0142 |
| Heavy Atoms | 9 |
| Complexity | 220.15617 |
Chemical Identifiers
| CAS Number | 1513-25-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)F)Cl |
Product Overview
3-Chloro-4-fluorotoluene (CAS 1513-25-3), with molecular formula C7H6ClF and molecular weight 144.01 g/mol. IUPAC: 2-chloro-1-fluoro-4-methylbenzene.
Chemical Property Profile of 3-Chloro-4-fluorotoluene
Property Insights of 3-Chloro-4-fluorotoluene
The XLogP value of 2.78752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluorotoluene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-4-fluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluorotoluene has 0 hydrogen bond donor(s) and 0 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-Chloro-4-fluorotoluene?
The CAS number of 3-Chloro-4-fluorotoluene is 1513-25-3.
What is the molecular formula of 3-Chloro-4-fluorotoluene?
The molecular formula of 3-Chloro-4-fluorotoluene is C7H6ClF.
What is the molecular weight of 3-Chloro-4-fluorotoluene?
The molecular weight of 3-Chloro-4-fluorotoluene is 144.01 g/mol.
Where can I buy 3-Chloro-4-fluorotoluene?
You can request a quote for 3-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 3-Chloro-4-fluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.