HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlorbutylacetat
orobutyL · 4-Chlorobutyl acetat · Indocyanine Green 17 · 4-Chlorbut-1-ylacetat · 4-CHLOROBUTYL ACETATE · 4-Acetoxybutyl chloride · 1-Chloro-4-acetoxybutane · 4-Chloro-n-butyl acetate
Identifikatoren & physikalische Daten
| CAS No. | 6962-92-1 |
|---|---|
| Summenformel | C6H11ClO2 |
| Durchschnittliche Molmasse | 150,6 g/mol |
| Monoisotopische Masse | 150,04475727 g/mol |
| SMILES | CC(=O)OCCCCCl |
| InChIKey | PYLDCZJUHYVOAF-UHFFFAOYSA-N |
| PubChem CID | 23399 |
| EC No. | 230-158-8 |
| DTXSID | DTXSID20884344 |
| Lokaler Name | 4-Chlorbutylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83,1 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 92 °C/22 mmHg (lit.) |
| Dichte | 1.072 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.434(lit.) |
| Flammpunkt | 148 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)inmisceable |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Wichte | 1.08 |
| BRN | 1749681 |
| InChI | InChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3 |
| InChIKey | PYLDCZJUHYVOAF-UHFFFAOYSA-N |
| SMILES | C(OC(=O)C)CCCCl |
| CAS Datenbank | 6962-92-1(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Butanol, 4-chloro-, acetate(6962-92-1) |
| EPA chemische Informationen | 1-Butanol, 4-chloro-, acetate (6962-92-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 24-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20067 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3272 |
| Zollcode | 2915907098 |
| RTECS-Nr. | EL1328000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Chlorobutyl Acetate is a reagent used in the synthesis of novel cyclic ADP ribose derivatives. Also used in the synthesis of a transient receptor potential melastatin 2 antagonist involved in insulin secretion.