Identifikatoren & physikalische Daten
| CAS No. | 17019-25-9 |
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| Summenformel | C4H7NO2 |
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| Durchschnittliche Molmasse | 101,1 g/mol |
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| Monoisotopische Masse | 101,04767847 g/mol |
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| SMILES | CC(=O)/C(C)=N/O |
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| InChIKey | FSEUPUDHEBLWJY-HWKANZROSA-N |
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| PubChem CID | 6409633 |
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| ChEMBL | CHEMBL1255578 |
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| ChEBI | CHEBI:4480 |
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| EC No. | 200-348-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 49,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 106 |
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| Löslichkeit | 10 to 50 mg/mL at 64 °F (NTP, 1992) |
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| Siedepunkt | 365 to 367 °F at 760 mmHg (NTP, 1992) |
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| Schmelzpunkt | 171 to 172 °F (NTP, 1992) |
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| Physical Description | 2-oxime 2,3-butanedione is a cream-colored powder. (NTP, 1992)Cream-colored solid[CAMEO] White crystalline powder[Alfa Aesar MSDS] |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Chemical: 2,3-Butanedione, monooximeDiacetyl monoxime: Does not have an individual approval but may be used under an appropriate group standard |
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| Brandgefahren | Flash point data for this chemical are not available, but it is probably combustible. (NTP, 1992) |
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| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include headache, dizziness, blurred vision, diplopia, nausea, tachycardia, and mild weakness.ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992) |
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| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 51 mg/kg |
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