Pentabromoethylbenzene
TL;DR: Pentabromoethylbenzene (CAS 85-22-3) is a chemical compound with molecular formula C8H5Br5 and molecular weight 495.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C8H5Br5 |
|---|---|
| Molecular Weight | 495.63 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 499.6267 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
| Melting Point | 279 to 138.9 °C |
| Solubility | Insoluble (NTP, 1992) |
Chemical Identifiers
| CAS Number | 85-22-3 |
|---|---|
| SMILES | CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
| InChIKey | FIAXCDIQXHJNIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentabromoethylbenzene (CAS 85-22-3), with molecular formula C8H5Br5 and molecular weight 495.63 g/mol. IUPAC: 1,2,3,4,5-pentabromo-6-ethylbenzene.
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
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 495.63 g/mol.
Where can I buy Pentabromoethylbenzene?
You can request a quote for Pentabromoethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentabromoethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Pentabromoethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.