1-Phenyloxindole (HCID 314787)

名称と識別子

優先名称: 1-Phenyloxindole
IUPAC: 1-phenyl-3H-indol-2-one
現地名: 1-フェニルオキシインドール
英語名: 1-Phenyloxindole
分子式: C14H11NO
分子量: 209.24

名称と別名

1-Phenyloxindole3335-98-61-phenyl-1,3-dihydro-2H-indol-2-one1-phenyl-3H-indol-2-onen-phenyloxindole1-Phenyl-2-indolinone1,3-DIHYDRO-1-PHENYL-2H-INDOL-2-ONEOxindole, 1-phenyl-n-phenyl-2-indolinoneN-Phenylindolin-2-one2H-Indol-2-one, 1,3-dihydro-1-phenyl-2-Indolinone, 1-phenyl-

名称をさらに表示

1-フェニルオキシインドール1-フェニル-2-インドリノン2-オキソ-1-フェニルインドリン1,3-ジヒドロ-1-フェニル-2H-インドール-2-オン1-フェニルオキシンドール1-フェニル-1,3-ジヒドロ-2H-インドール-2-オン1-フェニルインドリン-2-オン1-フェニル-2,3-ジヒドロ-1H-インドール-2-オン1-フェニル-1H-インドール-2(3H)-オン1-PHENYLINDOLIN-2-ONEPhenyloxindolPHENYLOXINDOLEN-phenylindoleone1-PHENYLLOX INDOLE1-phenoxy-1H-indole1-Phenyloxindole>1-Phenyl-2-indolinone

1-phenyl-1,3-dihydro-indol-2-one2FQG528CES1-Phenyl-1H-indolin-2-oneNSC-234518DTXSID50310944RefChem:435725DTXCID50262070441-020-3

データベース識別子

CAS: 3335-98-6
PubChem CID: 314787
DTXSID: DTXSID50310944
ChEMBL: CHEMBL1305587
UNII: 2FQG528CES
EC Number: 441-020-3、608-864-6
Nikkaji: J620.555K

物性

構造計算による物性

XLogP: 2.5
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 270

物理化学的性質

融点: 123 · 123-125
沸点: 443.6 · 443.6±25.0 °C(Predicted)
比重(密度): 1.228 · 1.228±0.06 g/cm3(Predicted)
蒸気圧: 0.002 Pa · 0.002Pa at 20℃
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Practically insoluble in water
外見: powder to crystal
酸解離定数(Pka): -3.41 · -3.41±0.20(Predicted)
色: White to Light yellow
水溶解度: 74.3 mg/L · 74.3mg/L at 20℃
InChI: InChI=1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2
InChIKey: OWPNVXATCSXTBK-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)C2=C(C=CC=C2)CC1=O
LogP: 2.6 at · 2.6 at 26℃
CAS データベース: 3335 · 3335-98-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, 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.；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.

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

危険有害性情報

Regulatory InformationStatus: Active Update: 24-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/13006；Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19230

Hazard Classes and CategoriesAquatic Chronic 2 (100%)

法規制情報

Regulatory InformationStatus: Active Update: 24-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/13006；Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19230