Chlorimine picryl sulfonate
TL;DR: Chlorimine picryl sulfonate (CAS 547-95-5) is a chemical compound with molecular formula C11H13ClN4O9S and molecular weight 412.0092 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloropropyl)aziridin-1-ium;2,4,6-trinitrobenzenesulfonate
Also Known As: Chlorimine picryl sulfonate, Methyl-beta-chloroethyl-ethylenimonium picrylsulfonate, 1-Methyl-1-(beta-chloroethyl)ethylenimonium picrylsulfonate, 1-(2-Chloroethyl)-1-methylaziridinium 2,4,6-trinitrobenzenesulfonate, Aziridinium, 1-(2-chloroethyl)-1-methyl-, 2,4,6-trinitrobenzenesulfonate
Technical Specifications
| Molecular Formula | C11H13ClN4O9S |
| Molecular Weight | 412.0092 g/mol |
| XLogP | -0.17 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.0092 Da |
| Heavy Atoms | 26 |
| Complexity | 509.0 |
| SMILES | C1C[NH+]1CCCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CODNXQDQAPZBMO-UHFFFAOYSA-N |
Product Description
Applications: Chlorimine picryl sulfonate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Chlorimine picryl sulfonate (CAS 547-95-5) has the molecular formula C11H13ClN4O9S and a molecular weight of 412.01 g/mol. Synonyms include Chlorimine picryl sulfonate and Methyl-beta-chloroethyl-ethylenimonium picrylsulfonate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Chlorimine picryl sulfonate
Property Insights of Chlorimine picryl sulfonate
The XLogP value of -0.17 indicates that Chlorimine picryl sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting Chlorimine picryl sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorimine picryl sulfonate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chlorimine picryl sulfonate?
The CAS number of Chlorimine picryl sulfonate is 547-95-5.
What is the molecular formula of Chlorimine picryl sulfonate?
The molecular formula of Chlorimine picryl sulfonate is C11H13ClN4O9S.
What is the molecular weight of Chlorimine picryl sulfonate?
The molecular weight of Chlorimine picryl sulfonate is 412.0092 g/mol.
What are the applications of Chlorimine picryl sulfonate?
Chlorimine picryl sulfonate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS,...
Where can I buy Chlorimine picryl sulfonate?
You can request a quote for Chlorimine picryl sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorimine picryl sulfonate?
Yes, CoreyChem provides custom synthesis services for Chlorimine picryl sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.