2-Bromo-1,3,5-trinitrobenzene
TL;DR: 2-Bromo-1,3,5-trinitrobenzene (CAS 4185-53-9) is a chemical compound with molecular formula C6H2BrN3O6 and molecular weight 290.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,3,5-trinitrobenzene
Also Known As: picryl bromide, 2-Bromo-1,3,5-trinitrobenzene, 2,4,6-Trinitrophenyl bromide, 2-bromo-1,3,5-trinitro-benzene, Benzene, 2-bromo-1,3,5-trinitro-
| Molecular Formula | C6H2BrN3O6 |
|---|---|
| Molecular Weight | 290.91 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.9127 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 4185-53-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WJAMDVPZHYCFJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1,3,5-trinitrobenzene (CAS 4185-53-9), with molecular formula C6H2BrN3O6 and molecular weight 290.91 g/mol. IUPAC: 2-bromo-1,3,5-trinitrobenzene.
Chemical Property Profile of 2-Bromo-1,3,5-trinitrobenzene
Property Insights of 2-Bromo-1,3,5-trinitrobenzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1,3,5-trinitrobenzene. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1,3,5-trinitrobenzene. Following Lipinski's Rule of Five, 2-Bromo-1,3,5-trinitrobenzene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-1,3,5-trinitrobenzene?
The CAS number of 2-Bromo-1,3,5-trinitrobenzene is 4185-53-9.
What is the molecular formula of 2-Bromo-1,3,5-trinitrobenzene?
The molecular formula of 2-Bromo-1,3,5-trinitrobenzene is C6H2BrN3O6.
What is the molecular weight of 2-Bromo-1,3,5-trinitrobenzene?
The molecular weight of 2-Bromo-1,3,5-trinitrobenzene is 290.91 g/mol.
Where can I buy 2-Bromo-1,3,5-trinitrobenzene?
You can request a quote for 2-Bromo-1,3,5-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.