CAS 50681-25-9 Pyridazine-4-carboxylic Acid (HCID 2761046)

基本情報

CAS: 50681-25-9
標準SMILES: O=C(O)c1ccnnc1
InChIKey: JUSIWJONLKBPDU-UHFFFAOYSA-N
分子式: C5H4N2O2
平均分子量: 124.1 g/mol
単同位体質量: 124.02727737

名称と識別子

優先名称: Pyridazine-4-carboxylic Acid
IUPAC: pyridazine-4-carboxylic acid
現地名: ピリダジン-4-カルボン酸
英語名: 4-Pyridazinecarboxylic acid
分子式: C5H4N2O2
分子量: 124.1

名称と別名

Pyridazine-4-carboxylic Acid50681-25-94-Pyridazinecarboxylic acidDTXSID40375502RefChem:376382DTXCID00326530610-561-9MFCD000115764-CarboxypyridazineSCHEMBL185925CHEMBL394068AKOS005259573

名称をさらに表示

4-ピリダジンカルボン酸ピリダジン-4-カルボン酸ピリダジン-4-カルボン酸, 97%pyridazin-4-yl forMatepyridazin-4-carboxylic acidPyridazine-4-carboxylic a...1(2H)-Pyrazinecarboxylic Acid1,2-Diazine-4-carboxylic AcidPyridazine-4-Dicarboxylic Acid

HY-W002066AC-3281PB17054P1907Z11823284434-pyridazinecarboxylicacidBCP22416Pyrzine-4-carboxylic acid

データベース識別子

CAS: 50681-25-9
PubChem CID: 2761046
DTXSID: DTXSID40375502
ChEMBL: CHEMBL394068
EC Number: 610-561-9
Nikkaji: J293.836G

物性

構造計算による物性

XLogP: -0.3
極性表面積: 63.1 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 116

物理化学的性質

融点: 244.2 °C · 244.2 °C (dec.) (lit.)
沸点: 404.2 · 404.2±18.0 °C(Predicted)
比重(密度): 1.403 · 1.403±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 3.18 · 3.18±0.10(Predicted)
色: White to Almost white
InChI: InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
InChIKey: JUSIWJONLKBPDU-UHFFFAOYSA-N
SMILES: C1=NN=CC=C1C(O)=O
CAS データベース: 50681 · 50681-25-9(CAS DataBase Reference)

化学的性質

化学的特性Off-white to brown powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用4-Pyridazinecarboxylic Acid is the pyridazine analog of Nicotinic Acid (N429250). 4-Pyridazinecarboxylic Acid is a glutamate racemase inhibitor. It is also used in characterization study of nicotinic acid receptors in mouse macrophages

一般的な説明Surface electrochemical studies of 4-pyridazinecarboxylic acid adsorbed at Pt(111) surfaces by electron energy-loss and Auger spectroscopy has been reported.