Pentabromoethylbenzene
TL;DR: Pentabromoethylbenzene (CAS 85-22-3) is a chemical compound with molecular formula C8H5Br5 and molecular weight 495.6308 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5-pentabromo-6-ethylbenzene
Also Known As: 2,3,4,5,6-Pentabromoethylbenzene, PENTABROMOETHYLBENZENE, Benzene, pentabromoethyl-, PEB cpd, 1,2,3,4,5-Pentabromo-6-ethylbenzene
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5Br5 |
| Molecular Weight | 495.6308 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 499.6267 Da |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
| Melting Point | 279 to 282 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
| InChIKey | FIAXCDIQXHJNIX-UHFFFAOYSA-N |
Product Description
Applications: Pentabromoethylbenzene is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentabromoethylbenzene (CAS 85-22-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Pentabromoethylbenzene (CAS 85-22-3) is a polymer intermediate with the molecular formula C8H5Br5 and a molecular weight of 495.63 g/mol. Key physical properties include a solubility: Insoluble (NTP, 1992). It is also known as 2,3,4,5,6-Pentabromoethylbenzene and PENTABROMOETHYLBENZENE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pentabromoethylbenzene
Property Insights of Pentabromoethylbenzene
The XLogP value of 6.2 indicates that Pentabromoethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentabromoethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentabromoethylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentabromoethylbenzene?
The CAS number of Pentabromoethylbenzene is 85-22-3.
What is the molecular formula of Pentabromoethylbenzene?
The molecular formula of Pentabromoethylbenzene is C8H5Br5.
What is the molecular weight of Pentabromoethylbenzene?
The molecular weight of Pentabromoethylbenzene is 495.6308 g/mol.
What are the applications of Pentabromoethylbenzene?
Pentabromoethylbenzene is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentabromoethylbenzene (CAS 85-22-3) with custom synthesis...
Where can I buy Pentabromoethylbenzene?
You can request a quote for Pentabromoethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentabromoethylbenzene?
Yes, CoreyChem provides custom synthesis services for Pentabromoethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.