Semicarbazide

HCID 5196CAS 57-56-7
Substructure searchFind similar structures

Basic information

Standard SMILES
NNC(N)=O
InChIKey
DUIOPKIIICUYRZ-UHFFFAOYSA-N
Molecular formula
CH5N3O
Average molar mass
75.07 g/mol
Monoisotopic mass
75.04326178

Overview

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.

Names & identifiers

Preferred name
Semicarbazide
IUPAC
aminourea
English name
Semicarbazide
Molecular formula
CH5N3O
Molecular weight
75.07

Names & synonyms

SemicarbazideHYDRAZINECARBOXAMIDEAminourea57-56-7CarbamylhydrazineCarbazamideSemikarbazidAminomocovinaCarbamoylhydrazineCarbamic acid, hydrazide37QUC23K2XDTXSID7043823
Show more names
C02077amino-ureCarbazinamide
CHEBI:28306RefChem:182342DTXCID5023823200-339-6Urea, amino-AminoharnstoffHydrazine, carbamoyl-Carbamidsaeurehydrazid

Database identifiers

CAS
57-56-7
PubChem CID
5196
DTXSID
DTXSID7043823
ChEMBL
CHEMBL903
ChEBI
CHEBI:28306
UNII
37QUC23K2X
EC Number
200-339-6
Nikkaji
J4.582I

Properties

Computed structural properties

XLogP
-1.8
Topological polar surface area
81.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
5

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Hydrazides
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physicochemical properties

Melting point
96 °C · 96°C
Boiling point
133.71 °C · 133.71°C (rough estimate)
Density
1.286 · 1.286±0.06 g/cm3(Predicted)
refractive index
1.4451 · 1.4451 (estimate)
storage temp.
2 · 2-8°C, protect from light
form
powder

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory InformationRegulation (EC) No 178/2002 (amended)
Hazards Summary · 1 item

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%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
tsca
TSCA listed
risk_code
22
Signal word
Danger
Symbol(GHS)
GHS06

Chemistry & industry

Pharmacology

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.

Uses & manufacturing

Uses · 1 item

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
Applications · 2 items

DescriptionSemicarbazide (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).

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

Upstream & downstream products

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Additional notes

DefinitionChEBI: A monocarboxylic acid amide that is urea where one of the amino groups has been replaced with hydrazine.

Related reactions

111 records
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Linked notes

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