Identifikatoren & physikalische Daten
| CAS No. | 52006-62-9 |
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| Summenformel | C4H9NO2 |
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| Durchschnittliche Molmasse | 103,12 g/mol |
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| Monoisotopische Masse | 103,06332853 g/mol |
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| SMILES | CCCC[N+](=O)[O-] |
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| InChIKey | NALZTFARIYUCBY-UHFFFAOYSA-N |
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| PubChem CID | 12302 |
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| ChEMBL | CHEMBL1448549 |
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| ChEBI | CHEBI:138425 |
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| EC No. | 210-980-3 |
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| DTXSID | DTXSID8020967 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 45,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 57,2 |
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| Stoffklassen | Nitrogen Compounds -> Nitros, Aliphatic |
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| SpringerMaterials Properties | Boiling point |
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| Dichte | 0.971 (NTP, 1992) - Less dense than waterwill float |
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| Löslichkeit | Slightly soluble (NTP, 1992) |
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| Siedepunkt | 307 °F at 760 mmHg (NTP, 1992) |
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| Dampfdruck | 3.79 [mmHg] |
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| Physical Description | 1-nitrobutane is a colorless liquid. (NTP, 1992)[CAMEO] |
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| Spezifische Wärmekapazität | Cp(gas): 1.12 J/(g·K), at 25℃ |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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. |
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| DOT-Kennzeichnung | Flammable Liquid |
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| Brandgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Gesundheitsgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Gefahrenübersicht | Highly flammable[CAMEO] May cause irritation[MSDSonline] See Nitroethane. |
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| Reaktive Gruppe | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
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| Reactivity Alerts | Highly Flammable |
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| Reactivity Profile | Nitroalkanes, such as 1-NITROBUTANE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. Flammable/combustible material. May be ignited by heat, sparks or flames. |
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| Air and Water Reactions | Highly flammable. Slightly water soluble (NTP, 1992). |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Brandbekämpfung | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
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