4-Methyl-3-nitrobenzenesulfonyl chloride
TL;DR: 4-Methyl-3-nitrobenzenesulfonyl chloride (CAS 6212-86-8) is a chemical compound with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-nitrobenzenesulfonyl chloride
Also Known As: 4-Methyl-3-nitrobenzenesulfonyl chloride, 4-methyl-3-nitrobenzene-1-sulfonyl chloride, 2-nitrotoluene-4-sulfonyl chloride, 2,4-Difluoromandelic acid, 3-Nitro-p-toluenesulfonyl Chloride
| Molecular Formula | C7H6ClNO4S |
|---|---|
| Molecular Weight | 234.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.97061 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 6212-86-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
| InChIKey | OQFYBGANSUNUAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-3-nitrobenzenesulfonyl chloride (CAS 6212-86-8), with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol. IUPAC: 4-methyl-3-nitrobenzenesulfonyl chloride.
Chemical Property Profile of 4-Methyl-3-nitrobenzenesulfonyl chloride
Property Insights of 4-Methyl-3-nitrobenzenesulfonyl chloride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-nitrobenzenesulfonyl chloride. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-nitrobenzenesulfonyl chloride. Following Lipinski's Rule of Five, 4-Methyl-3-nitrobenzenesulfonyl chloride 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-Methyl-3-nitrobenzenesulfonyl chloride?
The CAS number of 4-Methyl-3-nitrobenzenesulfonyl chloride is 6212-86-8.
What is the molecular formula of 4-Methyl-3-nitrobenzenesulfonyl chloride?
The molecular formula of 4-Methyl-3-nitrobenzenesulfonyl chloride is C7H6ClNO4S.
What is the molecular weight of 4-Methyl-3-nitrobenzenesulfonyl chloride?
The molecular weight of 4-Methyl-3-nitrobenzenesulfonyl chloride is 234.97 g/mol.
Where can I buy 4-Methyl-3-nitrobenzenesulfonyl chloride?
You can request a quote for 4-Methyl-3-nitrobenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-nitrobenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-nitrobenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.