6-フェニルピリダジン-3(2H)-オン

3-Phenyl-6-pyridazone

HCID 75106CAS 2166-31-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=c1ccc(-c2ccccc2)n[nH]1
InChIKey: IJUIPRDMWWBTTQ-UHFFFAOYSA-N
分子式: C10H8N2O
平均分子量: 172.18 g/mol
単同位体質量: 172.06366288

名称と識別子

優先名称: 3-Phenyl-6-pyridazone
IUPAC: 3-phenyl-1H-pyridazin-6-one
現地名: 6-フェニルピリダジン-3(2H)-オン
英語名: 6-Phenyl-3(2H)-pyridazinone
分子式: C10H8N2O
分子量: 172.18

名称と別名

6-Phenylpyridazin-3(2H)-one2166-31-66-Phenyl-3(2H)-pyridazinone6-Phenyl-2H-pyridazin-3-one3(2H)-Pyridazinone, 6-phenyl-3-Phenyl-6-pyridazone6-phenyl-3-pyridazinone4XCL934PMPNSC-13399DTXSID10176043NSC 13399RefChem:198392

名称をさらに表示

6-フェニル-2,3-ジヒドロピリダジン-3-オン6-フェニルピリダジン-3(2H)-オン6-フェニル-3(2H)-ピリダジノン3-ヒドロキシ-6-フェニルピリダジンIFLAB-BB F0921-70143-Phenyl-6-pyridazinone6-Phenyl-3(2H)-pyridazinone>6-Phenyl-3(2H)-pyridazinone

DTXCID20985346-phenylpyridazin-3-ol3-phenyl-1H-pyridazin-6-one6-phenyl-2,3-dihydropyridazin-3-oneMFCD00114953NSC133993-Hydroxy-6-phenylpyridazineSCHEMBL482059

データベース識別子

CAS: 2166-31-6
PubChem CID: 75106
DTXSID: DTXSID10176043
ChEMBL: CHEMBL1536043
UNII: 4XCL934PMP
EC Number: 218-505-1
Nikkaji: J299.135G

物性

構造計算による物性

XLogP: 1.3
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: 1
重原子数: 13
形式電荷: 0
複雑度: 262

物理化学的性質

融点: 201 · 201-204 °C(lit.)
比重(密度): 1.2 · 1.20±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 11.05 · 11.05±0.40(Predicted)
色: White to Light yellow
InChI: InChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey: IJUIPRDMWWBTTQ-UHFFFAOYSA-N
SMILES: C1(=O)NN=C(C2=CC=CC=C2)C=C1

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 42 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2933998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
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 · 1 件

一般的な説明6-Phenyl-3(2H)-pyridazinone is a pyridazinone derivative that can be prepared from 4,5- dihydro-6-phenyl-3(2H)-pyridazinone. It is reported to be a weak positive inotropic agent. 6-Phenyl-3(2H)-pyridazinone forms the core of compounds that show a potential antiplatelet activity.