2,3-ピラジンジカルボン酸

2,3-Pyrazinedicarboxylic acid

HCID 66628CAS 89-01-0

基本情報

標準SMILES
O=C(O)c1nccnc1C(=O)O
InChIKey
ZUCRGHABDDWQPY-UHFFFAOYSA-N
分子式
C6H4N2O4
平均分子量
168.11 g/mol
単同位体質量
168.01710661

概要

has antimicrobial activity; structure in first source

名称と識別子

優先名称
2,3-Pyrazinedicarboxylic acid
IUPAC
pyrazine-2,3-dicarboxylic acid
現地名
2,3-ピラジンジカルボン酸
英語名
2,3-Pyrazinedicarboxylic acid
分子式
C6H4N2O4
分子量
168.11

名称と別名

2,3-Pyrazinedicarboxylic acidPyrazine-2,3-dicarboxylic acid89-01-02,3-DicarboxypyrazineQNN35WOF29NSC-1908DTXSID70237467RefChem:81936DTXCID70159958201-875-3Pyrazine-2,3-dicarboxylate2,3-pyrazine dicarboxylic acid
名称をさらに表示
2,3-ピラジンジカルボン酸ピラジン-2,3-ジカルボン酸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

データベース識別子

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

物性

構造計算による物性

XLogP
-0.7
極性表面積
100 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
2
重原子数
12

物理化学的性質

融点
188 °C · 188 °C (dec.) (lit.)
沸点
297.01 °C · 297.01°C (rough estimate)
比重(密度)
1.6328 · 1.6328 (rough estimate)
屈折率
1.4738 · 1.4738 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
溶ける

化学的性質

化学的特性white to pale brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

安全データ

wgk
3
tsca
N
rtecs
UQ2500000
hs_code
29339900
risk_code
36/37/38-34-11
化審法
(9)-1010

化学と産業

応用分野 · 2 件

使用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.

説明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].

調製方法

純化方法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.]

サプライヤー50 社

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]

関連反応

6 件

関連ノート

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