CAS 3842-20-4 N-(Cyanomethyl)-phthalimide (HCID 345881)

基本情報

CAS: 3842-20-4
標準SMILES: N#CCN1C(=O)c2ccccc2C1=O
InChIKey: KJTIDLYAIIARFO-UHFFFAOYSA-N
分子式: C10H6N2O2
平均分子量: 186.17 g/mol
単同位体質量: 186.04292744

名称と識別子

優先名称: N-(Cyanomethyl)-phthalimide
IUPAC: 2-(1,3-dioxoisoindol-2-yl)acetonitrile
現地名: フタルイミジルアセトニトリル
英語名: 2-(1,3-dioxoisoindolin-2-yl)acetonitrile
分子式: C10H6N2O2
分子量: 186.17

名称と別名

N-(CYANOMETHYL)-PHTHALIMIDERefChem:828405653-801-83842-20-42-(1,3-dioxoisoindolin-2-yl)acetonitrile(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile2-(1,3-dioxoisoindol-2-yl)acetonitrileMFCD000873622-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetonitrile2H-Isoindole-2-acetonitrile, 1,3-dihydro-1,3-dioxo-N-(cyanomethyl)phthalimide2-(1,3-dioxobenzo[c]azolidin-2-yl)ethanenitrile

名称をさらに表示

2-(シアノメチル)イソインドリン-1,3-ジオン1,3-ジオキソイソインドリン-2-アセトニトリル2-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)アセトニトリルフタルイミジルアセトニトリル2-(1,3-dioxo-2-isoindolyl)acetonitrile2-(1,3-dioxoisoindol-2-yl)ethanenitrile2-(1,3-dioxo-2-isoindolinyl)acetonitrile2-(1,3-diketoisoindolin-2-yl)acetonitrile

N-Cyanomethyl phthalimideNSC403772phthalimidoacetonitrile2-PhthalimidoacetonitrileN-(CYANOMETHYL)-POprea1_305106SCHEMBL1357288SCHEMBL29842458

データベース識別子

CAS: 3842-20-4
PubChem CID: 345881
DTXSID: DTXSID30323370
EC Number: 653-801-8
Nikkaji: J1.495.461I

物性

構造計算による物性

XLogP: 1.1
極性表面積: 61.2 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: 1
重原子数: 14
形式電荷: 0
複雑度: 304

物理化学的性質

融点: 124 · 124-125 °C(Solv: acetic acid (64-19-7))
沸点: 361.4 · 361.4±25.0 °C(Predicted)
比重(密度): 1.394 · 1.394±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): -2.72 · -2.72±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.