N-ethylisatoic anhydride

HCID 3249856

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 50332-68-8
標準SMILES: CCn1c(=O)oc(=O)c2ccccc21
InChIKey: UHCPCZKBZOSOLC-UHFFFAOYSA-N
分子式: C10H9NO3
平均分子量: 191.18 g/mol
単同位体質量: 191.05824315

名称と識別子

優先名称: N-ethylisatoic anhydride
IUPAC: 1-ethyl-3,1-benzoxazine-2,4-dione

名称と別名

N-ethylisatoic anhydride50332-68-8DTXSID10390641RefChem:163353DTXCID60341502664-947-71-ethyl-3,1-benzoxazine-2,4-dione1-ethyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dioneN-ethyl isatoic anhydride1-Ethyl-1H-benzo[d][1,3]oxazine-2,4-dioneSCHEMBL6305077CHEMBL2146655

名称をさらに表示

UHCPCZKBZOSOLC-UHFFFAOYSA-NAKOS0026650331-Ethyl-2H-3,1-benzoxazine-2,4(1H)-dione1-Ethyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione

データベース識別子

CAS: 50332-68-8
PubChem CID: 3249856
DTXSID: DTXSID10390641
ChEMBL: CHEMBL2146655
EC Number: 664-947-7
Nikkaji: J2.925.621G

物性

構造計算による物性補完中

XLogP: 1.6
極性表面積: 46.6 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: 264

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.