o-Toluenesulfonyl chloride, 5-nitro-
TL;DR: o-Toluenesulfonyl chloride, 5-nitro- (CAS 121-02-8) is a chemical compound with molecular formula C7H6ClNO4S and molecular weight 234.97061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-5-nitrobenzenesulfonyl chloride
Also Known As: 2-METHYL-5-NITROBENZENESULFONYL CHLORIDE, 2-Methyl-5-Nitrobenzene-1-Sulfonyl Chloride, 5-Nitro-o-toluenesulfonyl chloride, 4-Nitrotoluen-2-sulfochlorid, o-Toluenesulfonyl chloride, 5-nitro-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClNO4S |
| Molecular Weight | 234.97061 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.97061 Da |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl |
| InChIKey | WPGVQDHXOUAJBW-UHFFFAOYSA-N |
Product Description
Applications: o-Toluenesulfonyl chloride, 5-nitro- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
o-Toluenesulfonyl chloride, 5-nitro- (CAS 121-02-8) is a heterocyclic building block with the molecular formula C7H6ClNO4S and a molecular weight of 234.97 g/mol. Synonyms include 2-METHYL-5-NITROBENZENESULFONYL CHLORIDE and 2-Methyl-5-Nitrobenzene-1-Sulfonyl Chloride.
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 o-Toluenesulfonyl chloride, 5-nitro-
Property Insights of o-Toluenesulfonyl chloride, 5-nitro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Toluenesulfonyl chloride, 5-nitro-. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Toluenesulfonyl chloride, 5-nitro-. Following Lipinski's Rule of Five, o-Toluenesulfonyl chloride, 5-nitro- 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
What is the CAS number of o-Toluenesulfonyl chloride, 5-nitro-?
The CAS number of o-Toluenesulfonyl chloride, 5-nitro- is 121-02-8.
What is the molecular formula of o-Toluenesulfonyl chloride, 5-nitro-?
The molecular formula of o-Toluenesulfonyl chloride, 5-nitro- is C7H6ClNO4S.
What is the molecular weight of o-Toluenesulfonyl chloride, 5-nitro-?
The molecular weight of o-Toluenesulfonyl chloride, 5-nitro- is 234.97061 g/mol.
What are the applications of o-Toluenesulfonyl chloride, 5-nitro-?
o-Toluenesulfonyl chloride, 5-nitro- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy o-Toluenesulfonyl chloride, 5-nitro-?
You can request a quote for o-Toluenesulfonyl chloride, 5-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Toluenesulfonyl chloride, 5-nitro-?
Yes, CoreyChem provides custom synthesis services for o-Toluenesulfonyl chloride, 5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.