五溴二苯醚
TL;DR: 五溴二苯醚 (CAS 60348-60-9) is a chemical compound with molecular formula C12H5Br5O and molecular weight 559.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五溴二苯醚
1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene
Also Known As: 2,2',4,4',5-Pentabromodiphenyl ether, Pentabromodiphenyl ether, Bromkal G 1, PBDE 99, BDE No 99 solution
| Molecular Formula | C12H5Br5O |
|---|---|
| Molecular Weight | 559.63 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 563.62164 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
| Melting Point | -5 °C |
| Boiling Point | Decomposes at 200-300 °C (commercial) |
| Density | 2.25-2.28 |
| Solubility | Methanol, 1g/100g; dioctylphthalate, >100g/100g; completely miscible in methylene chloride, toluene, freon 11, polyol, styrene, and methyl ethyl ketone |
| Vapor Pressure | 3.50X10-7 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 60348-60-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br |
| InChIKey | WHPVYXDFIXRKLN-UHFFFAOYSA-N |
Product Overview
五溴二苯醚 (CAS 60348-60-9), with molecular formula C12H5Br5O and molecular weight 559.63 g/mol. IUPAC: 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene.
Chemical Property Profile of 五溴二苯醚
Property Insights of 五溴二苯醚
The XLogP value of 6.9 indicates that 五溴二苯醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 五溴二苯醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五溴二苯醚 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 五溴二苯醚?
The CAS number of 五溴二苯醚 is 60348-60-9.
What is the molecular formula of 五溴二苯醚?
The molecular formula of 五溴二苯醚 is C12H5Br5O.
What is the molecular weight of 五溴二苯醚?
The molecular weight of 五溴二苯醚 is 559.63 g/mol.
Where can I buy 五溴二苯醚?
You can request a quote for 五溴二苯醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五溴二苯醚?
Yes, KEHONG BIO provides custom synthesis services for 五溴二苯醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.