2,4,6-Trinitrobenzyl bromide
TL;DR: 2,4,6-Trinitrobenzyl bromide (CAS 7195-50-8) is a chemical compound with molecular formula C7H4BrN3O6 and molecular weight 304.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(bromomethyl)-1,3,5-trinitrobenzene
Also Known As: 2,4,6-TRINITROBENZYL BROMIDE, 2-(bromomethyl)-1,3,5-trinitrobenzene, 2,4,6-TRINITROBENZYLBROMIDE, 2-(bromomethyl)-1,3,5-trinitro-benzene, Benzene,2-(bromomethyl)-1,3,5-trinitro-
| Molecular Formula | C7H4BrN3O6 |
|---|---|
| Molecular Weight | 304.93 g/mol |
| LogP | 2.3061 |
| Topological Polar Surface Area | 129.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.92834 |
| Heavy Atoms | 17 |
| Complexity | 481.32565 |
Chemical Identifiers
| CAS Number | 7195-50-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])CBr)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,4,6-Trinitrobenzyl bromide (CAS 7195-50-8), with molecular formula C7H4BrN3O6 and molecular weight 304.93 g/mol. IUPAC: 2-(bromomethyl)-1,3,5-trinitrobenzene.
Chemical Property Profile of 2,4,6-Trinitrobenzyl bromide
Property Insights of 2,4,6-Trinitrobenzyl bromide
The XLogP value of 2.3061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrobenzyl bromide. The TPSA of 129.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Trinitrobenzyl bromide. Following Lipinski's Rule of Five, 2,4,6-Trinitrobenzyl bromide 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 2,4,6-Trinitrobenzyl bromide?
The CAS number of 2,4,6-Trinitrobenzyl bromide is 7195-50-8.
What is the molecular formula of 2,4,6-Trinitrobenzyl bromide?
The molecular formula of 2,4,6-Trinitrobenzyl bromide is C7H4BrN3O6.
What is the molecular weight of 2,4,6-Trinitrobenzyl bromide?
The molecular weight of 2,4,6-Trinitrobenzyl bromide is 304.93 g/mol.
Where can I buy 2,4,6-Trinitrobenzyl bromide?
You can request a quote for 2,4,6-Trinitrobenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrobenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrobenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.