Ammonium-5-(2,4,6-trioxoperhydropyrimidin-5-ylidenamino)barbiturat

Murexide

HCID 18275CAS 3051-09-0

Grundinformationen

Standard-SMILES
O=C1NC(=O)C(=Nc2c([O-])[nH]c(=O)[nH]c2=O)C(=O)N1.[NH4+]
InChIKey
LJYRLGOJYKPILZ-UHFFFAOYSA-N
Summenformel
C8H5N5O6.H3N
Durchschnittliche Molmasse
284,19 g/mol
Monoisotopische Masse
284,05053198

Überblick

5,5'-Nitrilodibarbituric acid ammonium derivative. Used as an indicator for complexometric titrations.

Namen und Bezeichner

Bevorzugter Name
Murexide
IUPAC
azanium 2,4-dioxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidin-6-olate
Lokaler Name
Ammonium-5-(2,4,6-trioxoperhydropyrimidin-5-ylidenamino)barbiturat
Englischer Name
Murexide
Summenformel
C8H8N6O6
Molmasse
284.19

Namen und Synonyme

Acid ammonium purpurateAmmonium salt purpuric acid4W6L62S876DTXSID40889371NSC-2152082,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino)-, monoammonium saltPurpurate, AmmoniumAmmonium Purpurate, AcidPurpurate, Acid AmmoniumRefChem:160112DTXCID801028633
Weitere Namen anzeigen
AMMONIUM PERPURATEAmmonium puranateammonium 2,6-dioxo-5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-olateCI 56085S NO 1138Naples redMurexide99%CI NO 56085
221-266-63051-09-0Ammonium PurpurateMurexideUNII-4W6L62S876EINECS 221-266-6NSC 215208Ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate

Datenbank-Bezeichner

CAS
3051-09-0
PubChem CID
18275
DTXSID
DTXSID40889371
UNII
4W6L62S876
EC Number
221-266-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
170 Ų
H-Brücken-Donoren
5
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
1
Schwere Atome
20

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Indicator Dyes
Physical DescriptionPurple-red solid with a green metallic luster; [Merck Index] Dark red powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
300 °C · 300 °C
Siedepunkt
443.25 °C · 443.25°C (rough estimate)
Dichte
1.5756 · 1.5756 (rough estimate)
Brechungsindex
1.8 · 1.8000 (estimate)
storage temp.
no restrictions.
Löslichkeit
1 g/l · 1g/l

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.

Not Classified

Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29335995
risk_code
22-40
hazard_code
Xn
safety_code
24/25-22-36/37

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Verwendung und Herstellung

UsesUsed as an indicator (complexometric titrations); [Merck Index]
Anwendungen · 1 Eintrag

VerwendenMurexide is used as a complexometric indicator in analytical chemistry for complexometric titrations of calcium, copper nickel and cobalt. It is an inhibitor of dihydrofolate reductase. Further, it acts as an enhancer of sonochemical destruction of chlorinated hydrocarbon pollutants.

Anbieter50 Anbieter

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