2-Bromo-1,4-difluorobenzene
TL;DR: 2-Bromo-1,4-difluorobenzene (CAS 399-94-0) is a chemical compound with molecular formula C6H3BrF2 and molecular weight 191.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,4-difluorobenzene
Also Known As: 1-Bromo-2,5-difluorobenzene, 2-Bromo-1,4-difluorobenzene, 2,5-Difluorobromobenzene, fr df be, 2,5-Difluoroaniline
| Molecular Formula | C6H3BrF2 |
|---|---|
| Molecular Weight | 191.94 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.93861 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 399-94-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)Br)F |
| InChIKey | XCRCSPKQEDMVBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1,4-difluorobenzene (CAS 399-94-0), with molecular formula C6H3BrF2 and molecular weight 191.94 g/mol. IUPAC: 2-bromo-1,4-difluorobenzene.
Chemical Property Profile of 2-Bromo-1,4-difluorobenzene
Property Insights of 2-Bromo-1,4-difluorobenzene
The XLogP value of 3.0 indicates that 2-Bromo-1,4-difluorobenzene 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-Bromo-1,4-difluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,4-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 2-Bromo-1,4-difluorobenzene?
The CAS number of 2-Bromo-1,4-difluorobenzene is 399-94-0.
What is the molecular formula of 2-Bromo-1,4-difluorobenzene?
The molecular formula of 2-Bromo-1,4-difluorobenzene is C6H3BrF2.
What is the molecular weight of 2-Bromo-1,4-difluorobenzene?
The molecular weight of 2-Bromo-1,4-difluorobenzene is 191.94 g/mol.
Where can I buy 2-Bromo-1,4-difluorobenzene?
You can request a quote for 2-Bromo-1,4-difluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,4-difluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,4-difluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.