Identifikatoren & physikalische Daten
| CAS No. | 18396-65-1 |
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| Summenformel | CH5N3O.ClH |
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| Durchschnittliche Molmasse | 111,53 g/mol |
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| Monoisotopische Masse | 111,01993949 g/mol |
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| SMILES | Cl.NNC(N)=O |
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| InChIKey | XHQYBDSXTDXSHY-UHFFFAOYSA-N |
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| PubChem CID | 11236 |
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| ChEMBL | CHEMBL1256355 |
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| ChEBI | CHEBI:82532 |
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| EC No. | 209-247-0 |
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| DTXSID | DTXSID4020244 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 81,1 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 42,2 |
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| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
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| LogP (Verteilungskoeffizient) | log Kow = -2.75 |
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| Color/Form | Prisms from dilute alcoholWhite crystals |
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| Löslichkeit | Very soluble (NTP, 1992)Freely sol in water with acid reactionvery slightly sol in hot alcoholInsol in anhyd etherInsoluble in absolute alcoholIn water, 1X10+6 mg/L at 25 °C /Estimated/9.2 [ug/mL] (The mean of the results at pH 7.4) |
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| Siedepunkt | 347 to 365 °F at 760 mmHg DECOMPOSES (NTP, 1992) |
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| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride/. |
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| Schmelzpunkt | 342 to 347 °F decomposes at 347-365 °F (EPA, 1998)175-185 °C /decomposes/MP: 96 °C /Base/ |
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| Dampfdruck | 0.13 [mmHg]0.13 mm Hg at 25 °C /Estimated/ |
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| Henry-Konstante | Henry's Law constant = 1.5X10-12 atm-cu m/mol at 25 °C /Estimated/ |
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| Physical Description | Snow white crystals. Used as a reagent for ketones and aldehydes with which it affords crystalline compounds having characteristic melting points. (EPA, 1998)White solid[Hawley] White powder[MSDSonline] |
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| Dissociation Constants | pKa = 10.8 |
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| Other Experimental Properties | Ammonolysis with liquid NH3 gives 95% yield of free baseHydroxyl radical reaction rate constant = 2X10-12 cu cm/molec-sec at 25 °C /Estimated/ |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.2% (2 of 93) of reports.DangerH301 (96.8%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 93 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Warning |
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| Regulatorische Informationen | Chemical: Hydrazinecarboxamide, monohydrochlorideStatus: Active Update: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/29438Semicarbazide hydrochloride: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| DOT-Kennzeichnung | Poison |
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| Brandgefahren | When heated to decomposition, it emits very toxic fumes of nitrogen oxides and hydrogen chloride. (EPA, 1998) |
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| Gesundheitsgefahren | Toxic by ingestion. (EPA, 1998) |
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| Gefahrenübersicht | Toxic by ingestion[Hawley] An irritant[MSDSonline] See Semicarbazide. |
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| Reaktive Gruppe | Amides and Imides |
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| Reactivity Profile | When heated to decomposition, it emits very toxic fumes of nitrogen oxides and hydrogen chloride. [EPA, 1998]. |
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| Air and Water Reactions | Water soluble. Acid reaction in water. (NTP, 1992) |
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| CERCLA-Meldepflichtmengen | Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Semicarbazide hydrochloride is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 1,000/10,000 lbs. |
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