2-(Chloromethyl)-1,3,5-trinitrobenzene
TL;DR: 2-(Chloromethyl)-1,3,5-trinitrobenzene (CAS 7176-28-5) is a chemical compound with molecular formula C7H4ClN3O6 and molecular weight 260.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1,3,5-trinitrobenzene
Also Known As: 2,4,6-Trinitrobenzyl chloride, 2-(chloromethyl)-1,3,5-trinitrobenzene, Benzene, 2-(chloromethyl)-1,3,5-trinitro-, 2-(chloromethyl)-1,3,5-trinitro-benzene, J1.857.062I
| Molecular Formula | C7H4ClN3O6 |
|---|---|
| Molecular Weight | 260.98 g/mol |
| LogP | 2.15 |
| Topological Polar Surface Area | 129.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.97885 |
| Heavy Atoms | 17 |
| Complexity | 481.32565 |
Chemical Identifiers
| CAS Number | 7176-28-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])CCl)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(Chloromethyl)-1,3,5-trinitrobenzene (CAS 7176-28-5), with molecular formula C7H4ClN3O6 and molecular weight 260.98 g/mol. IUPAC: 2-(chloromethyl)-1,3,5-trinitrobenzene.
Chemical Property Profile of 2-(Chloromethyl)-1,3,5-trinitrobenzene
Property Insights of 2-(Chloromethyl)-1,3,5-trinitrobenzene
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-1,3,5-trinitrobenzene. The TPSA of 129.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Chloromethyl)-1,3,5-trinitrobenzene. Following Lipinski's Rule of Five, 2-(Chloromethyl)-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-(Chloromethyl)-1,3,5-trinitrobenzene?
The CAS number of 2-(Chloromethyl)-1,3,5-trinitrobenzene is 7176-28-5.
What is the molecular formula of 2-(Chloromethyl)-1,3,5-trinitrobenzene?
The molecular formula of 2-(Chloromethyl)-1,3,5-trinitrobenzene is C7H4ClN3O6.
What is the molecular weight of 2-(Chloromethyl)-1,3,5-trinitrobenzene?
The molecular weight of 2-(Chloromethyl)-1,3,5-trinitrobenzene is 260.98 g/mol.
Where can I buy 2-(Chloromethyl)-1,3,5-trinitrobenzene?
You can request a quote for 2-(Chloromethyl)-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-(Chloromethyl)-1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.