HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyliodoacetat
s9 · ethyl 2-iodoacetate · S 9 · Rpn6 · p44.5 · ETHYL IODOACETATE · Ethyliodoacetate,98% · ethylmonoiodoacetate
Identifikatoren & physikalische Daten
| CAS No. | 623-48-3 |
|---|---|
| Summenformel | C4H7IO2 |
| Durchschnittliche Molmasse | 214 g/mol |
| Monoisotopische Masse | 213,94907746 g/mol |
| SMILES | CCOC(=O)CI |
| InChIKey | MFFXVVHUKRKXCI-UHFFFAOYSA-N |
| PubChem CID | 12183 |
| EC No. | 210-796-3 |
| DTXSID | DTXSID5060770 |
| Lokaler Name | Ethyliodoacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 62,7 |
| Stoffklassen | Other Classes -> Halogenated Esters |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Clear dark brown liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | <25 °C |
| Siedepunkt | 179-180 °C(lit.) |
| Dichte | 1.808 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.503(lit.) |
| Flammpunkt | 170 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow to orange |
| Löslichkeit | Insoluble in water. |
| BRN | 741934 |
| InChI | 1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3 |
| InChIKey | MFFXVVHUKRKXCI-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CI |
| CAS Datenbank | 623-48-3(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, iodo-, ethyl ester (623-48-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (97.7%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Ethyl iodoacetate: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes altered sleep time (including change in righting reflex), somnolence, and convulsions in oral lethal-dose studies of mice and rats[RTECS] Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract and lungsHighly toxic by ingestion[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 2 (97.7%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| F | 8-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2922 8/PG 2 |
| Zollcode | 29159000 |
| RTECS-Nr. | AI3575000 |
| R-Sätze (R) | 25-34 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1Acute Tox. 2 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Ethyl iodoacetate was used in the synthesis of trans-2,3-disubstituted indolines by reacting with 1-azido-2-allylbenzene derivatives via a diastereoselective radical cascade.