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
Weitere Namen anzeigen
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
- Formalladung
- 0
- Komplexität
- 508
Experimentelle und physikochemische Eigenschaften
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
- pka
- 1 · pK1:0.0;pK2:9.20;pK3:10.50 (25°C)
- Aggregatzustand
- Solid
- Farbe
- Reddish-violet
- PH
- 5 · 5 (1g/l, H2O, 20℃)
- Geruch (Odor)
- Odorless
- Wasserlöslichkeit
- Slightly soluble
- Merck
- 14 · 14,6306
- BRN
- 3582175 · 3582175
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h(H2,10,11,14,15,18)(H3,12,13,16,17,19);1H3
- InChIKey
- HZRQHQKDQSVFMQ-UHFFFAOYSA-N
- SMILES
- N.OC1=C(\N=C2\C(=O)NC(=O)NC2=O)C(=O)NC(=O)N1
- NIST chemische Informationen
- Ammonium purpurate(3051-09-0)
- EPA chemische Informationen
- 2 · 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt (3051-09-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
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
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29335995
- risk_code
- 22-40
- hazard_code
- Xn
- safety_code
- 24/25-22-36/37
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
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
Anwendungen
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.
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