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2-Ethylhexanoylchlorid
hexanoyL · Hexanoyl chloride, 2-ethyl- · ethylhexanoyl chloride · 2-EHCL · UNII:81065MP285 · 2-ethylcaproylchloride · 2-ethvlhexanovlchloride · A-ETHYLCAPROYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 760-67-8 |
|---|---|
| Summenformel | C8H15ClO |
| Durchschnittliche Molmasse | 162,66 g/mol |
| Monoisotopische Masse | 162,08114278 g/mol |
| SMILES | CCCCC(CC)C(=O)Cl |
| InChIKey | WFSGQBNCVASPMW-UHFFFAOYSA-N |
| PubChem CID | 79103 |
| ChEMBL | CHEMBL3182853 |
| EC No. | 212-081-1 |
| DTXSID | DTXSID5027308 |
| Lokaler Name | 2-Ethylhexanoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 101 |
| Physical Description | Liquid |
| Schmelzpunkt | <-75°C |
| Siedepunkt | 67-68 °C/11 mmHg (lit.) |
| Dichte | 0.939 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.72 mm Hg ( 67.7 °C) |
| Brechungsindex | n20/D 1.433(lit.) |
| Flammpunkt | 157 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Reacts with water. |
| BRN | 956601 |
| InChI | 1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3 |
| InChIKey | WFSGQBNCVASPMW-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)C(Cl)=O |
| CAS Datenbank | 760-67-8(CAS DataBase Reference) |
| NIST chemische Informationen | Hexanoyl chloride, 2-ethyl-(760-67-8) |
| EPA chemische Informationen | Hexanoyl chloride, 2-ethyl- (760-67-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (96.9%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 161 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Hexanoyl chloride, 2-ethyl-Hexanoyl chloride, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoyl chloride, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 20-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14221 |
| Weitere Sicherheitsinformationen | IMAP assessments - Hexanoyl chloride, 2-ethyl-: Environment tier I assessment |
| Hazard Classes and Categories | Met. Corr. 1 (96.9%)Flammable liquids - Category 4 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159080 |
| RTECS-Nr. | MP4525000 |
| R-Sätze (R) | 34-43-41-23-22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-25 |
| Gefahrenklasse | 8Acute Tox. 2 InhalationAcute Tox. 4 OralMet. Corr. 1Skin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Ethylhexanoyl chloride was used in the preparation of 4-aza-6-ethyl-4-(2-ethylhexanoyloxy)-5-oxodecyl 2,3, 4,6-tetra-O-acetyl-l-thio-β-D glucopyranoside. It was also used in the preparation of poly(4,8-bis-alkyloxybenzo(1,2-b:4,5-b)dithiophene-2,6-diyl-alt-(alkyl thieno(3,4-b)thiophene-2-carboxylate)-2,6-diyl), having very promising photovoltaic properties.