HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 85642956Erstellt: 1. November 2026
Naphthalen-2-yl sulfofluoridate
Naphthalen-2-yl sulfofluoridate · naphthalen-2-yl sulfurofluoridate · 2-Naphthalenyl ester fluorosulfuric acid · Fluorosulfuric acid, 2-naphthalenyl ester
https://huagongshe.com/de/chemical/85642956
Identifikatoren & physikalische Daten
| CAS No. | 141694-39-5 |
|---|
| Summenformel | C10H7FO3S |
|---|
| Durchschnittliche Molmasse | 226,23 g/mol |
|---|
| Monoisotopische Masse | 226,00999342 g/mol |
|---|
| SMILES | O=S(=O)(F)Oc1ccc2ccccc2c1 |
|---|
| InChIKey | IJQQGAGYVGLLJL-UHFFFAOYSA-N |
|---|
| PubChem CID | 85642956 |
|---|
| EC No. | 809-231-9 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|
| Polarare Oberfläche (TPSA) | 51,8 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 15 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 309 |
|---|
| Schmelzpunkt | 87-88 °C |
|---|
| Siedepunkt | 338.6±15.0 °C(Predicted) |
|---|
| Dichte | 1.436±0.06 g/cm3(Predicted) |
|---|
| Aggregatzustand | 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 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | 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%) |
|---|
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
|---|
| Gefahrenklasse | Skin Corr. 1B |
|---|