Ethylindol-3-ylglyoxylat

Ethyl 3-indolylglyoxylate

HCID 101242

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 51079-10-8
Standard-SMILES: CCOC(=O)C(=O)c1c[nH]c2ccccc12
InChIKey: WTPMFFQBDYIARF-UHFFFAOYSA-N
Summenformel: C12H11NO3
Durchschnittliche Molmasse: 217,22 g/mol
Monoisotopische Masse: 217,07389321

Namen und Bezeichner

Bevorzugter Name: Ethyl 3-indolylglyoxylate
IUPAC: ethyl 2-(1H-indol-3-yl)-2-oxoacetate
Lokaler Name: Ethylindol-3-ylglyoxylat
Englischer Name: (1H-Indol-3-yl)-oxo-acetic acid ethyl ester
Summenformel: C12H11NO3
Molmasse: 217.22

Namen und Synonyme

51079-10-8ethyl 2-(1H-indol-3-yl)-2-oxoacetateEthyl indol-3-ylglyoxylateETHYL 3-INDOLYLGLYOXYLATEEthyl indole-3-glyoxylate6U8Q4H6QFUNSC-402543DTXSID40199083NSC 402543ETHYL .ALPHA.-OXO-1H-INDOLE-3-ACETATERefChem:200852DTXCID70121574

Weitere Namen anzeigen

α-Oxo-1H-indole-3-acetic acid ethyl ester1H-Indole-3-acetic acid, α-oxo-, ethyl ester1-(3-cyanophenyl)-3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]urea

ETHYL ALPHA-OXO-1H-INDOLE-3-ACETATEWTPMFFQBDYIARF-UHFFFAOYSA-N(1H-Indol-3-yl)-oxo-acetic acid ethyl esterETHYL 2-(INDOL-3-YL)-2-OXOACETATEMFCD00085450Ethyl 3-indoleglyoxylateEthyl 1H-indol-3-yl(oxo)acetateEthyl 2-(3-Indolyl)-2-oxoacetate

Datenbank-Bezeichner

CAS: 51079-10-8
PubChem CID: 101242
DTXSID: DTXSID40199083
UNII: 6U8Q4H6QFU
EC Number: 256-954-5
Nikkaji: J261.631I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 59,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 290

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (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.；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.

Gefahrenhinweise

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(1H-Indol-3-yl)-oxo-acetic Acid Ethyl Ester is a starting material in synthesizing Indole-3-butyric Acid-d4 (I577802). A labelled Indolebutyric Acid. Used to stimulate root formation of plant clippings. Suitable for plant cell culture tested.