2,3-Pyrazinedicarboxylic acid

HCID 66628

Basic information

CAS
89-01-0
Standard SMILES
O=C(O)c1nccnc1C(=O)O
InChIKey
ZUCRGHABDDWQPY-UHFFFAOYSA-N
Molecular formula
C6H4N2O4
Average molar mass
168.11 g/mol
Monoisotopic mass
168.01710661

Overview

has antimicrobial activity; structure in first source

Names & identifiers

Preferred name
2,3-Pyrazinedicarboxylic acid
IUPAC
pyrazine-2,3-dicarboxylic acid
English name
2,3-Pyrazinedicarboxylic acid
Molecular formula
C6H4N2O4
Molecular weight
168.11

Names & synonyms

2,3-Pyrazinedicarboxylic acidPyrazine-2,3-dicarboxylic acid89-01-02,3-DicarboxypyrazineQNN35WOF29NSC-1908DTXSID70237467RefChem:81936DTXCID70159958201-875-3Pyrazine-2,3-dicarboxylate2,3-pyrazine dicarboxylic acid
Show more names
Pyrazine-2AKOS BBS-00001996IFLAB-BB F2124-0042RARECHEM AL BO 13112,3-Pyrazinedicarbox2,3-PyrazinedicarboxyL2,3-Pyrazinedicarboxylic
MFCD00006131NSC19082,3-Dicarboxypyrazine; NSC 1908NSC 1908EINECS 201-875-3UNII-QNN35WOF29BRN 0147982Maybridge1_001780

Database identifiers

CAS
89-01-0
PubChem CID
66628
DTXSID
DTXSID70237467
ChEMBL
CHEMBL2000672
UNII
QNN35WOF29
EC Number
201-875-3
Nikkaji
J60.120I

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
188 °C · 188 °C (dec.) (lit.)
Boiling point
297.01 °C · 297.01°C (rough estimate)
Density
1.6328 · 1.6328 (rough estimate)
refractive index
1.4738 · 1.4738 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 3 items

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

Hazard Classes and CategoriesSkin Irrit. 2 (60%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
N
rtecs
UQ2500000
hs_code
29339900
risk_code
36/37/38-34-11

Chemistry & industry

Applications · 2 items

Uses2,3-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.

Description2,3-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].

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
陕西德莱维特生物科技有限公司15780788769 18292741956 · [email protected]

Related reactions

6 records

Compound notes

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