1,2,3,4,5-Pentabromo-6-nitrobenzene
TL;DR: 1,2,3,4,5-Pentabromo-6-nitrobenzene (CAS 22230-46-2) is a chemical compound with molecular formula C6Br5NO2 and molecular weight 512.58 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-nitrobenzene
Also Known As: pentabromonitrobenzene, 1,2,3,4,5-pentabromo-6-nitrobenzene, 3-Chloro-2-iodotoluene, 2,3,4,5,6-PENTABROMONITROBENZENE, Benzene,pentabromonitro-(7CI,8CI,9CI)
| Molecular Formula | C6Br5NO2 |
|---|---|
| Molecular Weight | 512.58 g/mol |
| LogP | 5.4073 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 512.5846 |
| Heavy Atoms | 14 |
| Complexity | 390.16827 |
Chemical Identifiers
| CAS Number | 22230-46-2 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)[N+](=O)[O-] |
Product Overview
1,2,3,4,5-Pentabromo-6-nitrobenzene (CAS 22230-46-2), with molecular formula C6Br5NO2 and molecular weight 512.58 g/mol. IUPAC: 1,2,3,4,5-pentabromo-6-nitrobenzene.
Chemical Property Profile of 1,2,3,4,5-Pentabromo-6-nitrobenzene
Property Insights of 1,2,3,4,5-Pentabromo-6-nitrobenzene
The XLogP value of 5.4073 indicates that 1,2,3,4,5-Pentabromo-6-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1,2,3,4,5-Pentabromo-6-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5-Pentabromo-6-nitrobenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,4,5-Pentabromo-6-nitrobenzene?
The CAS number of 1,2,3,4,5-Pentabromo-6-nitrobenzene is 22230-46-2.
What is the molecular formula of 1,2,3,4,5-Pentabromo-6-nitrobenzene?
The molecular formula of 1,2,3,4,5-Pentabromo-6-nitrobenzene is C6Br5NO2.
What is the molecular weight of 1,2,3,4,5-Pentabromo-6-nitrobenzene?
The molecular weight of 1,2,3,4,5-Pentabromo-6-nitrobenzene is 512.58 g/mol.
Where can I buy 1,2,3,4,5-Pentabromo-6-nitrobenzene?
You can request a quote for 1,2,3,4,5-Pentabromo-6-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5-Pentabromo-6-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5-Pentabromo-6-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.