4-Chloro-1,2-difluorobenzene
TL;DR: 4-Chloro-1,2-difluorobenzene (CAS 179897-89-3) is a chemical compound with molecular formula C1=CC(=C(C=C1Cl)F)F and molecular weight 147.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,2-difluorobenzene
Also Known As: 4-Chloro-1,2-difluorobenzene, 1-Chloro-3,4-difluorobenzene, 3,4-Difluorochlorobenzene, 4-chloro-1,2-difluoro-benzene, 3,4-Diflurochlorobenzene
| Molecular Formula | C1=CC(=C(C=C1Cl)F)F |
|---|---|
| Molecular Weight | 147.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.98914 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 179897-89-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)F)F |
| InChIKey | OPQMRQYYRSTBME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1,2-difluorobenzene (CAS 179897-89-3), with molecular formula C1=CC(=C(C=C1Cl)F)F and molecular weight 147.99 g/mol. IUPAC: 4-chloro-1,2-difluorobenzene.
Chemical Property Profile of 4-Chloro-1,2-difluorobenzene
Property Insights of 4-Chloro-1,2-difluorobenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1,2-difluorobenzene. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Chloro-1,2-difluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1,2-difluorobenzene has 0 hydrogen bond donor(s) and 2 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 4-Chloro-1,2-difluorobenzene?
The CAS number of 4-Chloro-1,2-difluorobenzene is 179897-89-3.
What is the molecular formula of 4-Chloro-1,2-difluorobenzene?
The molecular formula of 4-Chloro-1,2-difluorobenzene is C1=CC(=C(C=C1Cl)F)F.
What is the molecular weight of 4-Chloro-1,2-difluorobenzene?
The molecular weight of 4-Chloro-1,2-difluorobenzene is 147.99 g/mol.
Where can I buy 4-Chloro-1,2-difluorobenzene?
You can request a quote for 4-Chloro-1,2-difluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1,2-difluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,2-difluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.