Semicarbazid

hydrazinecarboxamide · aminourea · Aminomocovina · C02077 · amino-ure · Carbazamide · Urea, amino- · Semikarbazid

Identifikatoren & physikalische Daten

CAS No.	57-56-7
Summenformel	CH5N3O
Durchschnittliche Molmasse	75,07 g/mol
Monoisotopische Masse	75,04326178 g/mol
SMILES	NNC(N)=O
InChIKey	DUIOPKIIICUYRZ-UHFFFAOYSA-N
PubChem CID	5196
ChEMBL	CHEMBL903
ChEBI	CHEBI:28306
EC No.	200-339-6
DTXSID	DTXSID7043823
Lokaler Name	Semicarbazid

Chemische & physikalische Eigenschaften

XLogP	-1,8
Polarare Oberfläche (TPSA)	81,1
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	5
Formalladung	0
Komplexität	42,2
Stoffklassen	Nitrogen Compounds -> Hydrazides
Endocrine Disruptors	Potential endocrine disrupting compound
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Schmelzpunkt	96°C
Siedepunkt	133.71°C (rough estimate)
Dichte	1.286±0.06 g/cm3(Predicted)
Brechungsindex	1.4451 (estimate)
Lagerbedingungen	2-8°C, protect from light
Aggregatzustand	powder
pKa (Säurekonstante)	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	57-56-7(CAS DataBase Reference)
NIST chemische Informationen	Hydrazinecarboxamide-(57-56-7)
EPA chemische Informationen	Semicarbazide (57-56-7)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (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.
Regulatorische Informationen	Regulation (EC) No 178/2002 (amended)
Gefahrenübersicht	Developmental toxicity and teratogenicity observed in rats from single 17 mg/kg dosesTeratogenicity also observed in chickens[REPROTOX] Causes convulsion in oral, intraperitoneal, and intravenous lethal-dose studies of mice[RTECS] See Semicarbazide hydrochloride.
Hazard Classes and Categories	Acute Tox. 3 (100%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
R-Sätze (R)	22
Gefahrensymbole	Xn
Sicherheitshinweise (S)	22
Lagerklasse	13 - Non Combustible Solids

Anwendungen & Verwendung

Beschreibung

Semicarbazide (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).

Verwenden

Semicarbazide is used as a potent nucleophile; forms many crystalline carbonyl derivatives.