2-[2-(oxiran-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

HCID 339433CAS 86506-70-9

基本情報

標準SMILES: O=C1c2ccccc2C(=O)N1CCC1CO1
InChIKey: KPQFNAHIBWPUSX-UHFFFAOYSA-N
分子式: C12H11NO3
平均分子量: 217.22 g/mol
単同位体質量: 217.07389321

名称と識別子

優先名称: 2-[2-(oxiran-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 2-[2-(oxiran-2-yl)ethyl]isoindole-1,3-dione
英語名: 2-(2-Oxiranyl-ethyl)-isoindole-1,3-dione
分子式: C12H11NO3
分子量: 217.22

名称と別名

2-[2-(oxiran-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione2-(2-(oxiran-2-yl)ethyl)-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:453153961-615-686506-70-92-(2-(OXIRAN-2-YL)ETHYL)ISOINDOLINE-1,3-DIONE2-(2-Oxiranyl-ethyl)-isoindole-1,3-dioneMFCD131921492-[2-(oxiran-2-yl)ethyl]isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(2-oxiranylethyl)-2-[2-(Oxiran-2-yl)ethyl]isoindoline-1,3-dioneNSC366111

名称をさらに表示

1H-Isoindole-1,3(2H)-dione, 2-[2-(2-oxiranyl)ethyl]-

SCHEMBL1905981DTXSID80320899KPQFNAHIBWPUSX-UHFFFAOYSA-NLDA50670N-(3,4-EPOXYBUTYL)PHTHALIMIDENSC-366111SY334764WS-01313

データベース識別子

CAS: 86506-70-9
PubChem CID: 339433
DTXSID: DTXSID80320899
EC Number: 961-615-6
Nikkaji: J1.805.806E

物性

構造計算による物性

XLogP: 1.5
極性表面積: 49.9 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 304

物理化学的性質

沸点: 359.5 · 359.5±15.0 °C(Predicted)
比重(密度): 1.353 · 1.353±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): -2.16 · -2.16±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.