Semicarbazide hydrochloride - CAS 563-41-7

Name: Semicarbazide hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029336
Product Name:	Semicarbazide hydrochloride
CAS:	563-41-7
Synonyms:	aminourea;hydrochloride

Technical Data

IUPAC Name:	aminourea;hydrochloride
Description:	Semicarbazide hydrochloride (CAS# 563-41-7) is a metabolite of Nitrofuran (N493840), a minor antimicrobial used in veterinary medicine affecting semicarbazide-sensitive amine oxidase (SSAO) activity (1). Semicarbazide may be found in from nitrofuran residues in honey extracts (2) as well as milk from dairy cows (3). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.Environmental contaminants; Food contaminants; Heat processing contaminants.
Molecular Weight:	111.53
Molecular Formula:	CH6ClN3O
Canonical SMILES:	C(=O)(N)NN.Cl
InChI:	InChI=1S/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H
InChI Key:	XHQYBDSXTDXSHY-UHFFFAOYSA-N
Boiling Point:	235.3 °C at 760 mmHg
Melting Point:	342 to 347 °F decomposes at 347-365 °F
Density:	1.286 g/cm³
Solubility:	9.2 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Prisms from dilute alcohol
Decomposition:	When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride
MDL:	MFCD00013009
LogP:	1.12190
Vapor Pressure:	0.13 [mmHg]

GHS Hazard Statement:	H301 (98.9%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P264, P270, P280, P281, P301+P310, P302+P352, P305+P351+P338, P308+P313, P314, P321, P330, P332+P313, P337+P313, P362, P405, and P501
Signal Word:	Danger

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JP-2021152037-A	Heterocyclic amide compound	20210611
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CN-113072637-A	Semicarbazide antigen, colloidal gold immunochromatography detection device and detection judgment method	20210331
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PMID	Publication Date	Title	Journal
22870808	20120601	Synthesis and biological evaluation of novel pyrazoline derivatives as anti-inflammatory and antioxidant agents	Archives of pharmacal research
21909057	20110909	Synthesis and in vitro antimicrobial activity of some pyrazolyl-1-carboxamide derivatives	Molecules (Basel, Switzerland)
21750479	20110712	Synthesis and biological activities on metal complexes of 2,5-diamino-1,3,4-thiadiazole derived from semicarbazide hydrochloride	Molecules (Basel, Switzerland)
21796933	20110701	Synthesis of new pyrimidine derivatives with evaluation of their anti-inflammatory and analgesic activities	Acta poloniae pharmaceutica
20448083	20100601	Age-related susceptibility to induction of osteochondral and vascular lesions by semicarbazide hydrochloride in rats	Toxicologic pathology

Complexity:	42.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.0199395
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	111.0199395
Rotatable Bond Count:	0
Topological Polar Surface Area:	81.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0