Grundinformationen
- Standard-SMILES
O=C(O)c1nccnc1C(=O)O- InChIKey
ZUCRGHABDDWQPY-UHFFFAOYSA-N- Summenformel
- C6H4N2O4
- Durchschnittliche Molmasse
- 168,11 g/mol
- Monoisotopische Masse
- 168,01710661
Überblick
has antimicrobial activity; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Pyrazinedicarboxylic acid
- IUPAC
- pyrazine-2,3-dicarboxylic acid
- Lokaler Name
- Pyrazin-2,3-dicarbonsure
- Englischer Name
- 2,3-Pyrazinedicarboxylic acid
- Summenformel
- C6H4N2O4
- Molmasse
- 168.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
89-01-0- PubChem CID
- 66628
- DTXSID
DTXSID70237467- ChEMBL
CHEMBL2000672- UNII
- QNN35WOF29
- EC Number
- 201-875-3
- Nikkaji
- J60.120I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 100 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 184
Physikochemische Eigenschaften
- Schmelzpunkt
- 188 °C · 188 °C (dec.) (lit.)
- Siedepunkt
- 297.01 °C · 297.01°C (rough estimate)
- Dichte
- 1.6328 · 1.6328 (rough estimate)
- Brechungsindex
- 1.4738 · 1.4738 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble
- pka
- 1.66 · 1.66±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Off-White to Pale Brown
- Wasserlöslichkeit
- soluble
- Merck
- 14 · 14,7958
- BRN
- 147982 · 147982
- InChI
- 1S/C6H4N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)
- InChIKey
- ZUCRGHABDDWQPY-UHFFFAOYSA-N
- SMILES
- OC(=O)c1nccnc1C(O)=O
- LogP
- -1.257 · -1.257 (est)
- CAS Datenbank
- 89 · 89-01-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 20 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2,3-Pyrazinedicarboxylic acid
Status: Active Update: 12-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19778
2,3-Pyrazinedicarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- N
- hs_code
- 29339900
- RTECS-Nr.
- UQ2500000
- risk_code
- 36/37/38-34-11
- hazard_code
- F,C
- safety_code
- 22-24/25-45-36/37/39-26-16
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden2,3-Pyrazinedicarboxylic Acid has been found to exhibit antifungal and antibacterial acitivity. It has also been used as a reagent in the preparation of transition metal pyrazinedicarboxylate complexes.
Beschreibung2,3-Pyrazinedicarboxylic acid is an antibacterial compound, and its anions have been of great interest in coordination and supra-molecular chemistry as they generally tend to react with metal salts to yield insoluble polynuclear materials. Its anion has been shown to have critical applications in crystal engineering because of the crystal formation of 2,3-Pyrazinedicarboxylic acid with creatinine and 2-amino-4-hydroxy-6-methylpyrimidine. 2,3-Pyrazinedicarboxylic acid (pzdc) is a dicarboxylate ligand. This compound could bridge two neighboring metal atoms to form a 1D chain in complexes. The pzdc ligands also could coordinate with the central Nd(III) atoms in bridging tetradentate, hexadentate, or heptadentate modes. 2,3-pyrazinedicarboxylic acid (pzdc) and neodymium nitrate could synthesize the coordination polymer [Nd2(pzdc)3(H2O)]n·nH2O (complex I) with a three-dimensional framework through hydrothermal synthesis[1-4].
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