HuagongsheHuagongshe Chemistry Print Report · For research reference only
Naphthalen-2-yl sulfofluoridate
Naphthalen-2-yl sulfofluoridate · naphthalen-2-yl sulfurofluoridate · 2-Naphthalenyl ester fluorosulfuric acid · Fluorosulfuric acid, 2-naphthalenyl ester
Identifiers & Physical Properties
| CAS No. | 141694-39-5 |
|---|---|
| Molecular formula | C10H7FO3S |
| Average molar mass | 226.23 g/mol |
| Monoisotopic mass | 226.00999342 g/mol |
| SMILES | O=S(=O)(F)Oc1ccc2ccccc2c1 |
| InChIKey | IJQQGAGYVGLLJL-UHFFFAOYSA-N |
| PubChem CID | 85642956 |
| EC No. | 809-231-9 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 309 |
| Melting point | 87-88 °C |
| Boiling point | 338.6±15.0 °C(Predicted) |
| Density | 1.436±0.06 g/cm3(Predicted) |
| Physical state | powder |
| InChI | 1S/C10H7FO3S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H |
| InChIKey | IJQQGAGYVGLLJL-UHFFFAOYSA-N |
| SMILES | O=S(OC1=CC=C2C(C=CC=C2)=C1)(F)=O |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| Water hazard class (WGK) | WGK 3 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Hazard class | Skin Corr. 1B |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Water hazard class (WGK) | WGK 3 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| GHS hazard statements | H314 |
| Hazard class | Skin Corr. 1B |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
Applications & Uses
Uses
The following aryl fluorosulfate can be utilized as a cross-coupling partner in Suzuki-Miyaura reactions. The standard reaction conditions for these palladium-catalyzed C-C bond formations are ligand-free and can be performed in water, at room temperature and are not air sensitive.