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 173.94804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-4-fluorobenzene
Also Known As: 1-Bromo-4-fluorobenzene, 4-Bromofluorobenzene, p-Bromofluorobenzene, 4-Fluorobromobenzene, p-Fluorobromobenzene
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4BrF |
| Molecular Weight | 173.94804 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.94804 Da |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | 18 °F (NTP, 1992) |
| Boiling Point | 306 °F at 764 mmHg (NTP, 1992) |
| Density | 1.4946 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 140 °F (NTP, 1992) |
| Vapor Pressure | 2.84 [mmHg] |
| SMILES | C1=CC(=CC=C1F)Br |
| InChIKey | AITNMTXHTIIIBB-UHFFFAOYSA-N |
Product Description
Applications: 1-Bromo-4-fluorobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1-Bromo-4-fluorobenzene is a heterocyclic building block identified by CAS number 460-00-4 and the molecular formula C6H4BrF and a molecular weight of 173.95 g/mol. Physically, the compound has a density of 1.4946 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³. Synonyms include 1-Bromo-4-fluorobenzene and 4-Bromofluorobenzene.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 173.94804 g/mol.
What are the applications of 1-Bromo-4-fluorobenzene?
1-Bromo-4-fluorobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1-Bromo-4-fluorobenzene?
You can request a quote for 1-Bromo-4-fluorobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-4-fluorobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-4-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.