1-Bromo-4-fluorobenzene
TL;DR: 1-Bromo-4-fluorobenzene (CAS 460-00-4) is a chemical compound with molecular formula C6H4BrF and molecular weight 173.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-fluorobenzene
Also Known As: 1-Bromo-4-fluorobenzene, 4-Bromofluorobenzene, p-Bromofluorobenzene, 4-Fluorobromobenzene, p-Fluorobromobenzene
| Molecular Formula | C6H4BrF |
|---|---|
| Molecular Weight | 173.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.94804 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | -7.8 °C |
| Boiling Point | 152.2 °C at 764 mmHg |
| Density | 1.4946 at 20.0 °C |
| Flash Point | 60.0 °C |
| Vapor Pressure | 2.84 [mmHg] |
Chemical Identifiers
| CAS Number | 460-00-4 |
|---|---|
| SMILES | C1=CC(=CC=C1F)Br |
| InChIKey | AITNMTXHTIIIBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-fluorobenzene (CAS 460-00-4), with molecular formula C6H4BrF and molecular weight 173.95 g/mol. IUPAC: 1-bromo-4-fluorobenzene.
Chemical Property Profile of 1-Bromo-4-fluorobenzene
Property Insights of 1-Bromo-4-fluorobenzene
The XLogP value of 3.2 indicates that 1-Bromo-4-fluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-4-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-fluorobenzene 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 1-Bromo-4-fluorobenzene?
The CAS number of 1-Bromo-4-fluorobenzene is 460-00-4.
What is the molecular formula of 1-Bromo-4-fluorobenzene?
The molecular formula of 1-Bromo-4-fluorobenzene is C6H4BrF.
What is the molecular weight of 1-Bromo-4-fluorobenzene?
The molecular weight of 1-Bromo-4-fluorobenzene is 173.95 g/mol.
Where can I buy 1-Bromo-4-fluorobenzene?
You can request a quote for 1-Bromo-4-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.