HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 10974Erstellt: 27. Oktober 2026
Isobutylnitrat
ISOBUTYL NITRATE · 2-methylpropyl nitrate · 2-Methyl-1-propyl nitrate · Nitric acid, isobutyl ester · Nitric acid, 2-methylpropyl ester
https://huagongshe.com/de/chemical/10974
Identifikatoren & physikalische Daten
| CAS No. | 543-29-3 |
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| Summenformel | C4H9NO3 |
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| Durchschnittliche Molmasse | 119,12 g/mol |
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| Monoisotopische Masse | 119,05824315 g/mol |
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| SMILES | CC(C)CO[N+](=O)[O-] |
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| InChIKey | LNNXFUZKZLXPOF-UHFFFAOYSA-N |
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| PubChem CID | 10974 |
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| ChEMBL | CHEMBL401409 |
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| EC No. | 208-842-2 |
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| DTXSID | DTXSID70202655 |
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| Lokaler Name | Isobutylnitrat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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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 | 2 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 75,8 |
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| SpringerMaterials Properties | Boiling point |
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| Schmelzpunkt | -111.59°C (estimate) |
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| Siedepunkt | 123 °C(lit.) |
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| Dichte | 1.015 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.402(lit.) |
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| Flammpunkt | 70 °F |
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| Merck | 13,5164 |
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| Henry-Konstante | 7.0×10-3 mol/(m3Pa) at 25℃, Kames and Schurath (1992) |
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| Dielektrizitätskonstante | 11.9(19℃) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3272 3/PG 2 |
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| R-Sätze (R) | 1-5-10-20/21/22-36/37/38 |
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| Gefahrensymbole | E,Xn |
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| Sicherheitshinweise (S) | 15-26-27-36/37/39 |
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| Gefahrenklasse | 3.1 |
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| Verpackungsgruppe | II |
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