HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 10985Erstellt: 26. Oktober 2026
Isopentylnitrat
ISOPENTYL NITRATE · nitritod’amile · SOAMYL NITRATE · ISOAMYL NITRATE · IsoamylNitrate>TIMTEC-BB SBB007774 · 3-METHYLBUTYL NITRATE · nitricacidisopentylester · isopentylalcohol,nitrate
https://huagongshe.com/de/chemical/10985
Identifikatoren & physikalische Daten
| CAS No. | 543-87-3 |
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| Summenformel | C5H11NO3 |
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| Durchschnittliche Molmasse | 133,15 g/mol |
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| Monoisotopische Masse | 133,07389321 g/mol |
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| SMILES | CC(C)CCO[N+](=O)[O-] |
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| InChIKey | NTHGIYFSMNNHSC-UHFFFAOYSA-N |
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| PubChem CID | 10985 |
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| EC No. | 208-852-7 |
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| DTXSID | DTXSID70110029 |
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| Lokaler Name | Isopentylnitrat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 55,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 86,7 |
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| Stoffklassen | Nitrogen Compounds -> Nitrates and Nitrites |
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| SpringerMaterials Properties | Boiling point |
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| LogP (Verteilungskoeffizient) | 2.84 |
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| Dampfdruck | 5.44 [mmHg] |
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| Physical Description | Colorless liquid[Merck Index] |
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| Schmelzpunkt | -61.6°C (estimate) |
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| Siedepunkt | 148 °C |
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| Dichte | 1.00 |
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| Brechungsindex | 1.4110-1.4140 |
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| Flammpunkt | 49℃ |
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| Löslichkeit | Slightly soluble in water |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Almost colorless |
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| Merck | 14,5122 |
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| Henry-Konstante | 5.0×10-3 mol/(m3Pa) at 25℃, Hauff et al. (1998) |
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| CAS Datenbank | 543-87-3(CAS DataBase Reference) |
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| EPA chemische Informationen | Isoamyl nitrate (543-87-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Gefahrenübersicht | See n-Propyl nitrate. |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | 1112 |
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| Zollcode | 2929900090 |
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| RTECS-Nr. | NT0187000 |
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| Sicherheitshinweise (S) | 7/9-17-36/37/39 |
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| Gefahrenklasse | 3.1 |
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| Verpackungsgruppe | III |
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