Grundinformationen
- Standard-SMILES
NNC(N)=O- InChIKey
DUIOPKIIICUYRZ-UHFFFAOYSA-N- Summenformel
- CH5N3O
- Durchschnittliche Molmasse
- 75,07 g/mol
- Monoisotopische Masse
- 75,04326178
Überblick
Semicarbazide is a monocarboxylic acid amide that is urea where one of the amino groups has been replaced with hydrazine. It is a monocarboxylic acid amide, a carbohydrazide, a member of ureas and a one-carbon compound.
Namen und Bezeichner
- Bevorzugter Name
- Semicarbazide
- IUPAC
- aminourea
- Lokaler Name
- Semicarbazid
- Englischer Name
- Semicarbazide
- Summenformel
- CH5N3O
- Molmasse
- 75.07
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
57-56-7- PubChem CID
- 5196
- DTXSID
DTXSID7043823- ChEMBL
CHEMBL903- ChEBI
CHEBI:28306- UNII
- 37QUC23K2X
- EC Number
- 200-339-6
- Nikkaji
- J4.582I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,8
- Polarare Oberfläche (TPSA)
- 81,1 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 42,2
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 96 °C · 96°C
- Siedepunkt
- 133.71 °C · 133.71°C (rough estimate)
- Dichte
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- Brechungsindex
- 1.4451 · 1.4451 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- Aggregatzustand
- powder
- pka
- 1 · pK1:3.53(+1) (25°C,μ=0.1)
- InChI
- 1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)
- InChIKey
- DUIOPKIIICUYRZ-UHFFFAOYSA-N
- SMILES
- NNC(N)=O
- CAS Datenbank
- 57 · 57-56-7(CAS DataBase Reference)
- NIST chemische Informationen
- Hydrazinecarboxamide-(57-56-7)
- EPA chemische Informationen
- Semicarbazide (57-56-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 76 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards Summary
Developmental toxicity and teratogenicity observed in rats from single 17 mg/kg doses; Teratogenicity also observed in chickens; [REPROTOX] Causes convulsion in oral, intraperitoneal, and intravenous lethal-dose studies of mice; [RTECS] See Semicarbazide hydrochloride.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 22
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Uses
Produced in trace amounts from heat processing of jar-seals containing azodicarbonamide; [REPROTOX] Found in foods from the thermal breakdown of azodicarbonamide in sealing gaskets used on metal lids of jars and bottles; Also a metabolite of the veterinary medication nitrofurazone (banned in the EU); [ExPub: The EFSA Journal (2005) 219, 1-36]
Anwendungen
BeschreibungSemicarbazide (SM) is a metabolite of the nitrofurane Nitrofurazone (5-nitro-2- furaldehyde-semicarbazone), used as indicator to detect the use of nitrofurazone in food-producing animals due to their carcinogenic properties the use of nitrofurans is prohibited within the EU in animal breeding (Commission Regulation 37/2010) . to harmonise the detection of semicarbazide a Minimum Required Performance Limit (MRPL) of 1 µg/kg is set within the EU (Commission Decision 2003/181).
VerwendenSemicarbazide is used as a potent nucleophile; forms many crystalline carbonyl derivatives.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: A monocarboxylic acid amide that is urea where one of the amino groups has been replaced with hydrazine.
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