HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 38293Erstellt: 4. November 2026
2-Acetyl-5-nitrothiophene
BUTTPARK 121\08-11 · 2-acetyl-5-nitro-thiophen · 2-Acetyl-5-nitrothiophene · Thiophene, 2-acetyl-5-nitro- · 1-(5-Nitro-2-thienyl)ethanone · 1-(5-nitro-2-thienyl)-ethanon · methyl 5-nitro-2-thienyl ketone · 5-NITRO-2-THIENYL METHYL KETONE
https://huagongshe.com/de/chemical/38293
Identifikatoren & physikalische Daten
| CAS No. | 39565-00-9 |
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| Summenformel | C6H5NO3S |
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| Durchschnittliche Molmasse | 171,18 g/mol |
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| Monoisotopische Masse | 170,9990142 g/mol |
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| SMILES | CC(=O)c1ccc([N+](=O)[O-])s1 |
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| InChIKey | CMXUIQITENCDHH-UHFFFAOYSA-N |
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| PubChem CID | 38293 |
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| EC No. | 680-449-2 |
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| DTXSID | DTXSID20192678 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 91,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 189 |
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| SpringerMaterials Properties | Chemical shift |
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| Schmelzpunkt | 107-108°C |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| BRN | 131129 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| UN-Transportnummer | UN2811 |
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| RTECS-Nr. | OB5040000 |
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| R-Sätze (R) | 20/21/22-40 |
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| Toxizität | mmo-sat 2500 ng/plate CNREA8 35,3611,75 |
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| Sicherheitshinweise (S) | 22-36/37/39 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | III |
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