3,4-Difluorotoluene
TL;DR: 3,4-Difluorotoluene (CAS 458526-10-8) is a chemical compound with molecular formula C7H6F2 and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-difluoro-4-methylbenzene
Also Known As: 3,4-Difluorotoluene, 1,2-difluoro-4-methylbenzene, null, Benzene, 1,2-difluoro-4-methyl-, 3,4-Difluoro-toluene
| Molecular Formula | C7H6F2 |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 2.27322 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.04376 |
| Heavy Atoms | 9 |
| Complexity | 218.15617 |
Chemical Identifiers
| CAS Number | 458526-10-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)F)F |
Product Overview
3,4-Difluorotoluene (CAS 458526-10-8), with molecular formula C7H6F2 and molecular weight 128.04 g/mol. IUPAC: 1,2-difluoro-4-methylbenzene.
Chemical Property Profile of 3,4-Difluorotoluene
Property Insights of 3,4-Difluorotoluene
The XLogP value of 2.27322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Difluorotoluene. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Difluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Difluorotoluene 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 3,4-Difluorotoluene?
The CAS number of 3,4-Difluorotoluene is 458526-10-8.
What is the molecular formula of 3,4-Difluorotoluene?
The molecular formula of 3,4-Difluorotoluene is C7H6F2.
What is the molecular weight of 3,4-Difluorotoluene?
The molecular weight of 3,4-Difluorotoluene is 128.04 g/mol.
Where can I buy 3,4-Difluorotoluene?
You can request a quote for 3,4-Difluorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Difluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Difluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.