HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11470946Erstellt: 29. Oktober 2026
2-Iodobenzothiophene
2-IODO-1-BENZOTHIOPHENE · 2-IODO-BENZO[B]THIOPHENE · 2-Iodobenzothiophene 97% · Benzo[b]?thiophene, 2-?iodo- · 5-fluoro-2-iodo-1-benzothiophene · 2-IODO-BENZO[B]THIOPHENE ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/11470946
Identifikatoren & physikalische Daten
| CAS No. | 36748-89-7 |
|---|
| Summenformel | C8H5IS |
|---|
| Durchschnittliche Molmasse | 260,1 g/mol |
|---|
| Monoisotopische Masse | 259,91567 g/mol |
|---|
| SMILES | Ic1cc2ccccc2s1 |
|---|
| InChIKey | XNCFWDHWACGQBN-UHFFFAOYSA-N |
|---|
| PubChem CID | 11470946 |
|---|
| ChEMBL | CHEMBL611628 |
|---|
| EC No. | 803-592-6 |
|---|
| DTXSID | DTXSID20466982 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|
| Polarare Oberfläche (TPSA) | 28,2 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 10 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 126 |
|---|
| Schmelzpunkt | 58-63°C |
|---|
| Siedepunkt | 119-120 °C(Press: 1.6 Torr) |
|---|
| Dichte | 1.925±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| Aggregatzustand | solid |
|---|
| InChI | 1S/C8H5IS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H |
|---|
| InChIKey | XNCFWDHWACGQBN-UHFFFAOYSA-N |
|---|
| SMILES | Ic1cc2ccccc2s1 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29349990 |
|---|
| R-Sätze (R) | 22 |
|---|
| Gefahrensymbole | Xn |
|---|
| Sicherheitshinweise (S) | 26-24/25 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
|---|
