基本情報
- CAS
23101-87-3- 標準SMILES
CC(C=O)N1C(=O)c2ccccc2C1=O- InChIKey
HAFHCXUQAOHMMF-UHFFFAOYSA-N- 分子式
- C11H9NO3
- 平均分子量
- 203.19 g/mol
- 単同位体質量
- 203.05824315
名称と識別子
- 優先名称
- 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanal
- IUPAC
- 2-(1,3-dioxoisoindol-2-yl)propanal
- 英語名
- 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanal
- 分子式
- C11H9NO3
- 分子量
- 203.19
名称と別名
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanalRefChem:450432986-520-723101-87-3Phthalimide, N-(1-formylethyl)-2-(1,3-dioxoisoindol-2-yl)propanal(S)-2-(1,3-dioxoisoindolin-2-yl)propanalPhthalimide, N-(1-formylethyl)-,2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanal2-phthalimidopropanal2-phthalimidopropanaldehyde(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanal
名称をさらに表示
2H-Isoindole-2-acetaldehyde, 1,3-dihydro-α-methyl-1,3-dioxo-
SCHEMBL4715603SCHEMBL7352195DTXSID00945780YAA10187EN300-719616Z15097288472-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanal #
データベース識別子
- CAS
23101-87-3- PubChem CID
- 140998
- DTXSID
DTXSID00945780- EC Number
- 986-520-7
- Nikkaji
- J2.586.096I
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 54.5 Ų
- 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
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 289
物理化学的性質
- 融点
- 190 °C · 190 °C
- 沸点
- 327.6 · 327.6±25.0 °C(Predicted)
- 比重(密度)
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- -2.42 · -2.42±0.20(Predicted)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 2 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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
化学と産業
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関連反応
2 件
化合物ノート
読み込み中…