4-tert-Butyl-2,6-dinitrochlorobenzene
TL;DR: 4-tert-Butyl-2,6-dinitrochlorobenzene (CAS 2213-81-2) is a chemical compound with molecular formula C10H11ClN2O4 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-chloro-1,3-dinitrobenzene
Also Known As: 4-tert-Butyl-2,6-dinitrochlorobenzene, 5-tert-butyl-2-chloro-1,3-dinitrobenzene, 5-(tert-Butyl)-2-chloro-1,3-dinitrobenzene, 2,6-dinitro-4-tert-butylchlorobenzene, 2-CHLORO-5-(1,1-DIMETHYLETHYL)-1,3-DINITROBENZENE
| Molecular Formula | C10H11ClN2O4 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.04074 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 2213-81-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | FRFMLDNFLXIDSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-2,6-dinitrochlorobenzene (CAS 2213-81-2), with molecular formula C10H11ClN2O4 and molecular weight 258.04 g/mol. IUPAC: 5-tert-butyl-2-chloro-1,3-dinitrobenzene.
Chemical Property Profile of 4-tert-Butyl-2,6-dinitrochlorobenzene
Property Insights of 4-tert-Butyl-2,6-dinitrochlorobenzene
The XLogP value of 3.3 indicates that 4-tert-Butyl-2,6-dinitrochlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butyl-2,6-dinitrochlorobenzene. Following Lipinski's Rule of Five, 4-tert-Butyl-2,6-dinitrochlorobenzene has 0 hydrogen bond donor(s) and 4 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 4-tert-Butyl-2,6-dinitrochlorobenzene?
The CAS number of 4-tert-Butyl-2,6-dinitrochlorobenzene is 2213-81-2.
What is the molecular formula of 4-tert-Butyl-2,6-dinitrochlorobenzene?
The molecular formula of 4-tert-Butyl-2,6-dinitrochlorobenzene is C10H11ClN2O4.
What is the molecular weight of 4-tert-Butyl-2,6-dinitrochlorobenzene?
The molecular weight of 4-tert-Butyl-2,6-dinitrochlorobenzene is 258.04 g/mol.
Where can I buy 4-tert-Butyl-2,6-dinitrochlorobenzene?
You can request a quote for 4-tert-Butyl-2,6-dinitrochlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-2,6-dinitrochlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-2,6-dinitrochlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.