2-Oxindole-6-carbonitrile

HCID 2773348

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 199327-63-4
標準SMILES: N#Cc1ccc2c(c1)NC(=O)C2
InChIKey: NDVUETYYXRFYKO-UHFFFAOYSA-N
分子式: C9H6N2O
平均分子量: 158.16 g/mol
単同位体質量: 158.04801281

名称と識別子

優先名称: 2-Oxindole-6-carbonitrile
IUPAC: 2-oxo-1,3-dihydroindole-6-carbonitrile
英語名: 6-Cyanooxindole
分子式: C9H6N2O
分子量: 158.16

名称と別名

2-OXINDOLE-6-CARBONITRILERefChem:477582640-471-56-Cyanooxindole199327-63-42-oxoindoline-6-carbonitrile6-Cyano-2-oxindole2-oxo-1,3-dihydroindole-6-carbonitrileMFCD021796062-Oxo-2,3-dihydro-1H-indole-6-carbonitrile1H-Indole-6-carbonitrile, 2,3-dihydro-2-oxo-6-CYANO-2-OXOINDOLE

名称をさらに表示

6-Cyanoindole-2-oneREF DUPL: 6-Cyano-2-oxoindole2-Oxo-2H-indole-6-carbonitrile6-Cyano-2-oxindole in stock Factory2-oxoindoline-6-carbonitrile - [X84462]

SCHEMBL1795090DTXSID40378396NDVUETYYXRFYKO-UHFFFAOYSA-N6-cyano-1,3-dihydro-indol-2-oneSBB066697AKOS006230623AB11389AC-3339

データベース識別子

CAS: 199327-63-4
PubChem CID: 2773348
DTXSID: DTXSID40378396
EC Number: 640-471-5

物性

構造計算による物性

XLogP: 0.9
極性表面積: 52.9 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: 12
形式電荷: 0
複雑度: 252

物理化学的性質

貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.