HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4131667Erstellt: 27. Oktober 2026
Phenyl propargyl sulfide
phenyl(prop-2-yn-1-yl)sulfane · PHENYL PROPARGYL SUL · Phenyl propargyl sulfi · Phenyl2-propynylsulfide · Phenyl proparyl sulfide · Phenyl propargyl sulfide · 2-(PHENYLTHIO)-1-PROPYNE · PHENYL PROPARGYL SULPHIDE
https://huagongshe.com/de/chemical/4131667
Identifikatoren & physikalische Daten
| CAS No. | 5651-88-7 |
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| Summenformel | C9H8S |
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| Durchschnittliche Molmasse | 148,23 g/mol |
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| Monoisotopische Masse | 148,03467126 g/mol |
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| SMILES | C#CCSc1ccccc1 |
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| InChIKey | HXKVNRKJSSHQQY-UHFFFAOYSA-N |
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| PubChem CID | 4131667 |
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| EC No. | 628-351-0 |
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| DTXSID | DTXSID60399689 |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 25,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 125 |
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| Siedepunkt | 74 °C/0.4 mmHg (lit.) |
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| Dichte | 1.077 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.593(lit.) |
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| Flammpunkt | 208 °F |
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| Lagerbedingungen | 2-8°C, stored under nitrogen |
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| InChI | 1S/C9H8S/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2 |
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| InChIKey | HXKVNRKJSSHQQY-UHFFFAOYSA-N |
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| SMILES | C#CCSc1ccccc1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3334 |
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| R-Sätze (R) | 20/21 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 23-36/37/39-7/9 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 Inhalation |
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