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α-Oxo-1H-indol-3-acetylchlorid
NSC 128332 · 2-(1H-Indol-3-yl) · -2-oxoacetyl chloride · à-oxoindoleacetyl chloride · 3-INDOLEGLYOXYLYL CHLORIDE · 3-INDOLYL-GLYOXYL CHLORIDE · 3-INDOLYLGLYOXALYL CHLORIDE · INDOLE-3-GLYOXYLYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 22980-09-2 |
|---|---|
| Summenformel | C10H6ClNO2 |
| Durchschnittliche Molmasse | 207,61 g/mol |
| Monoisotopische Masse | 207,00870611 g/mol |
| SMILES | O=C(Cl)C(=O)c1c[nH]c2ccccc12 |
| InChIKey | FPEGGKCNMYDNMW-UHFFFAOYSA-N |
| PubChem CID | 89952 |
| EC No. | 245-362-2 |
| DTXSID | DTXSID20177526 |
| Lokaler Name | α-Oxo-1H-indol-3-acetylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 267 |
| Schmelzpunkt | 138 °C (dec.) (lit.) |
| Siedepunkt | 413.9±37.0 °C(Predicted) |
| Dichte | 1.463±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 14.29±0.30(Predicted) |
| BRN | 147693 |
| InChI | 1S/C10H6ClNO2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H |
| InChIKey | FPEGGKCNMYDNMW-UHFFFAOYSA-N |
| SMILES | ClC(=O)C(=O)c1c[nH]c2ccccc12 |
| CAS Datenbank | 22980-09-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1759 8/PG 2 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
INDOLE-3-GLYOXYLYL CHLORIDE is an indole derivative used in the preparation of reagents for chemiluminescent enzyme immunoassay. It is an impurity in the manufacture of tryptamines and related compounds.