3-Isocyanatobenzenesulfonyl fluoride
TL;DR: 3-Isocyanatobenzenesulfonyl fluoride (CAS 402-36-8) is a chemical compound with molecular formula C7H4FNO3S and molecular weight 200.9896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-isocyanatobenzenesulfonyl fluoride
Also Known As: Isocyanic acid,, 3-isocyanatobenzenesulfonyl fluoride, 3-Isocyanatobenzenesulphonyl fluoride, starbld0036944, m-Fluorosulfonylphenyl isocyanate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4FNO3S |
| Molecular Weight | 200.9896 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.9896 Da |
| Heavy Atoms | 13 |
| Complexity | 315.0 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)N=C=O |
| InChIKey | MXNBVYUXLFKJKX-UHFFFAOYSA-N |
Product Description
Applications: 3-Isocyanatobenzenesulfonyl fluoride is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. 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).
3-Isocyanatobenzenesulfonyl fluoride (CAS 402-36-8) is a organic building block with the molecular formula C7H4FNO3S and a molecular weight of 200.99 g/mol. Synonyms include Isocyanic acid, and 3-isocyanatobenzenesulfonyl fluoride.
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 3-Isocyanatobenzenesulfonyl fluoride
Property Insights of 3-Isocyanatobenzenesulfonyl fluoride
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyanatobenzenesulfonyl fluoride. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isocyanatobenzenesulfonyl fluoride. Following Lipinski's Rule of Five, 3-Isocyanatobenzenesulfonyl fluoride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Isocyanatobenzenesulfonyl fluoride?
The CAS number of 3-Isocyanatobenzenesulfonyl fluoride is 402-36-8.
What is the molecular formula of 3-Isocyanatobenzenesulfonyl fluoride?
The molecular formula of 3-Isocyanatobenzenesulfonyl fluoride is C7H4FNO3S.
What is the molecular weight of 3-Isocyanatobenzenesulfonyl fluoride?
The molecular weight of 3-Isocyanatobenzenesulfonyl fluoride is 200.9896 g/mol.
What are the applications of 3-Isocyanatobenzenesulfonyl fluoride?
3-Isocyanatobenzenesulfonyl fluoride is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 3-Isocyanatobenzenesulfonyl fluoride?
You can request a quote for 3-Isocyanatobenzenesulfonyl fluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isocyanatobenzenesulfonyl fluoride?
Yes, CoreyChem provides custom synthesis services for 3-Isocyanatobenzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.