6-クロロピリダジン-3(2H)-オン

6-Chloropyridazin-3-ol

HCID 252828CAS 19064-67-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=c1ccc(Cl)n[nH]1
InChIKey: YICPBKWYZXFJNB-UHFFFAOYSA-N
分子式: C4H3ClN2O
平均分子量: 130.53 g/mol
単同位体質量: 129.9933904

名称と識別子

優先名称: 6-Chloropyridazin-3-ol
IUPAC: 3-chloro-1H-pyridazin-6-one
現地名: 6-クロロピリダジン-3(2H)-オン
英語名: 6-Chloropyridazin-3-ol
分子式: C4H3ClN2O
分子量: 130.53

名称と別名

6-chloropyridazin-3-olDTXSID30291363RefChem:1073895DTXCID8024250719064-67-66-Chloro-3-hydroxypyridazine6-chloropyridazin-3(2H)-one3(2H)-Pyridazinone, 6-chloro-3-Chloro-6-hydroxypyridazine6-chloro-2H-pyridazin-3-one6-Chloro-3(2H)-pyridazinone3-chloro-1H-pyridazin-6-one

名称をさらに表示

6-クロロピリダジン-3-オール6-クロロピリダジン-3(2H)-オン6-クロロ-3(2H)-ピリダジノン3-クロロ-6-ヒドロキシピリダジン6-クロロ-3-ヒドロキシピリダジン6-クロロ-2,3-ジヒドロピリダジン-3-オンNsc750716-Chloropyridazine-3-ol6-Chloro-3-hydroxypyridaz...

3-Chloro-6-pyridazoneMFCD001604603-Hydroxy-6-chloropyridazine6-Chloro-3(2H)pyridazinone6-Chloro-3-pyridazinol6-chloro-2,3-dihydropyridazin-3-oneMLS0007368186-chloropyridazin-3(2 H)-one

データベース識別子

CAS: 19064-67-6
PubChem CID: 252828
DTXSID: DTXSID30291363
ChEMBL: CHEMBL1385200
UNII: E2DZ9GC2KF
EC Number: 678-370-3
Nikkaji: J100.420D

物性

構造計算による物性

XLogP: 0.3
極性表面積: 41.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 173

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 140 to · 140.0 to 144.0 °C
比重(密度): 1.55 · 1.55±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 9.8 · 9.80±0.40(Predicted)
色: White to Almost white
InChI: InChI=1S/C4H3ClN2O/c5-3-1-2-4(8)7-6-3/h1-2H,(H,7,8)
InChIKey: YICPBKWYZXFJNB-UHFFFAOYSA-N
SMILES: C1(=O)NN=C(Cl)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 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 CategoriesAcute Tox. 4 (20%)

安全データ

hs_code: 2933998090
risk_code: 22
hazard_code: Xn
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用6-Chloropyridazin-3-ol is a white to almost white powder or crystal, which can be used as a raw material for organic synthesis or as a pharmaceutical intermediate.