3,4-Dinitrobenzenesulfonyl chloride
TL;DR: 3,4-Dinitrobenzenesulfonyl chloride (CAS 100367-66-6) is a chemical compound with molecular formula C6H3ClN2O6S and molecular weight 265.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dinitrobenzenesulfonyl chloride
Also Known As: 3,4-Dinitrobenzenesulfonyl chloride, Benzenesulfonylchloride, 3,4-dinitro-, (3,4-dinitrophenyl)chlorosulfone, Benzenesulfonoyl chloride, 3,4-dinitro-, 3,4-DINITROBENZENE-1-SULFONYL CHLORIDE
| Molecular Formula | C6H3ClN2O6S |
|---|---|
| Molecular Weight | 265.94 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.94003 |
| Heavy Atoms | 16 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 100367-66-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CFCJOWCTJBGWMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dinitrobenzenesulfonyl chloride (CAS 100367-66-6), with molecular formula C6H3ClN2O6S and molecular weight 265.94 g/mol. IUPAC: 3,4-dinitrobenzenesulfonyl chloride.
Chemical Property Profile of 3,4-Dinitrobenzenesulfonyl chloride
Property Insights of 3,4-Dinitrobenzenesulfonyl chloride
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dinitrobenzenesulfonyl chloride. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dinitrobenzenesulfonyl chloride. Following Lipinski's Rule of Five, 3,4-Dinitrobenzenesulfonyl chloride 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 3,4-Dinitrobenzenesulfonyl chloride?
The CAS number of 3,4-Dinitrobenzenesulfonyl chloride is 100367-66-6.
What is the molecular formula of 3,4-Dinitrobenzenesulfonyl chloride?
The molecular formula of 3,4-Dinitrobenzenesulfonyl chloride is C6H3ClN2O6S.
What is the molecular weight of 3,4-Dinitrobenzenesulfonyl chloride?
The molecular weight of 3,4-Dinitrobenzenesulfonyl chloride is 265.94 g/mol.
Where can I buy 3,4-Dinitrobenzenesulfonyl chloride?
You can request a quote for 3,4-Dinitrobenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dinitrobenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dinitrobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.