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89-01-0

89-01-0 Structure

89-01-0 Structure
IdentificationMore
[Name]

2,3-Pyrazinedicarboxylic acid
[CAS]

89-01-0
[Synonyms]

2,3-PYRAZINEDICARBOXYLIC ACID
AKOS BBS-00001996
IFLAB-BB F2124-0042
PYRAZINE-2,3-DICARBOXYLIC ACID
RARECHEM AL BO 1311
2,3-dicarboxypyrazine
2,3-Pyrazinedcarboxylicacid
2,3-Pyrazinedicarboxylic
[EINECS(EC#)]

201-875-3
[Molecular Formula]

C6H4N2O4
[MDL Number]

MFCD00006131
[Molecular Weight]

168.11
[MOL File]

89-01-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to pale brown crystalline powder
[Melting point ]

188 °C (dec.) (lit.)
[Boiling point ]

297.01°C (rough estimate)
[density ]

1.6328 (rough estimate)
[refractive index ]

1.4738 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble
[form ]

Solid
[pka]

1.66±0.10(Predicted)
[color ]

Off-White to Pale Brown
[Water Solubility ]

soluble
[Merck ]

14,7958
[BRN ]

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 (est)
[CAS DataBase Reference]

89-01-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

F,C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
R11:Highly Flammable.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
[WGK Germany ]

3
[RTECS ]

UQ2500000
[TSCA ]

N
[REACH Registrations]

Active
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Film evaporator-->Quinoxaline
[Preparation Products]

2-Pyrazinecarboxylic acid-->2,3-Pyridinedicarboxylic anhydride
Hazard InformationBack Directory
[Chemical Properties]

white to pale brown crystalline powder
[Uses]

2,3-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.
[Description]

2,3-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].
[Purification Methods]

Crystallise the dicarboxylic acid from water and dry it at 100o. The dimethyl ester has m 62-63o (from Et2O or Et2O/pet ether). [Beilstein 25 H 168, 25 II 164, 25 III/IV 1064.]
[References]

[1] Faizan, Mohd , et al. "Structural, vibrational and electronic absorption characteristics of the monohydrate organic salt of 2-amino-5-bromo-6-methyl-4-pyrimidinol and 2,3-pyrazinedicarboxylic acid: A combined experimental and computational study." Journal of Molecular Structure 1177(2019):229-241.
[2] Beaula, T Joselin , et al. "Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid." Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy 138C(2014):723-735.
[3] Yin, Hua , and S. X. Liu . "Copper and zinc complexes with 2,3-pyridinedicarboxylic acid or 2,3-pyrazinedicarboxylic acid: Polymer structures and magnetic properties." Journal of Molecular Structure 918.1-3(2009):165-173.
[4] Yang, Li Rong , et al. "Synthesis, structure and luminescent properties of neodymium(III) coordination polymers with 2,3-pyrazinedicarboxylic acid." Synthetic Metals 161. 9–10(2011):647-654.
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-Pyrazinedicarboxylic acid(89-01-0)MS
2,3-Pyrazinedicarboxylic acid(89-01-0)1HNMR
2,3-Pyrazinedicarboxylic acid(89-01-0)IR1
2,3-Pyrazinedicarboxylic acid(89-01-0)IR2
2,3-Pyrazinedicarboxylic acid(89-01-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,3-Pyrazinedicarboxylic acid, 97%(89-01-0)
[Alfa Aesar]

Pyrazine-2,3-dicarboxylic acid, 98%(89-01-0)
[Sigma Aldrich]

89-01-0(sigmaaldrich)
[TCI AMERICA]

2,3-Pyrazinedicarboxylic Acid,>98.0%(LC)(T)(89-01-0)
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