Semicarbazid
Semicarbazide
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Grundinformationen
- CAS
57-56-7- 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
SemicarbazideHYDRAZINECARBOXAMIDEAminourea57-56-7CarbamylhydrazineCarbazamideSemikarbazidAminomocovinaCarbamoylhydrazineCarbamic acid, hydrazide37QUC23K2XDTXSID7043823
Weitere Namen anzeigen
C02077amino-ureCarbazinamide
CHEBI:28306RefChem:182342DTXCID5023823200-339-6Urea, amino-AminoharnstoffHydrazine, carbamoyl-Carbamidsaeurehydrazid
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 StruktureigenschaftenWird ergänzt
- 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
Chemical ClassesNitrogen Compounds -> Hydrazides
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
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
Regulatory InformationRegulation (EC) No 178/2002 (amended)
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.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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
MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
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]
General Manufacturing InformationHydrazinecarboxamide: ACTIVE
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
Zugehörige Reaktionen
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