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2-Phenylbutyrylchlorid
SKL1320 · 2PhenylButylrylChloride · 2-Phenylbutyryl hloride · 2-PHENYLBUTYRIC CHLORIDE · 2-PHENYLBUTYRYL CHLORIDE · 2-phenylbutyril chloride · a-Phenylbutyryl chloride · 2-Phenylbutanoyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 36854-57-6 |
|---|---|
| Summenformel | C10H11ClO |
| Durchschnittliche Molmasse | 182,64 g/mol |
| Monoisotopische Masse | 182,04984265 g/mol |
| SMILES | CCC(C(=O)Cl)c1ccccc1 |
| InChIKey | QGXMHCMPIAYMGT-UHFFFAOYSA-N |
| PubChem CID | 98173 |
| EC No. | 253-241-0 |
| DTXSID | DTXSID201308142 |
| Lokaler Name | 2-Phenylbutyrylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 150 |
| Schmelzpunkt | 178-180 °C |
| Siedepunkt | 122-125 °C/20 mmHg (lit.) |
| Dichte | 1.093 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.516(lit.) |
| Flammpunkt | 209 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Hexanes |
| Aggregatzustand | Oil |
| Farbe | Colourless to Light Yellow |
| Wichte | 1.090 |
| BRN | 2045209 |
| InChI | 1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChIKey | QGXMHCMPIAYMGT-UHFFFAOYSA-N |
| SMILES | CCC(C(Cl)=O)c1ccccc1 |
| CAS Datenbank | 36854-57-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Phenylbutyryl chloride(36854-57-6) |
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 48 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 26-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16575 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29130000 |
| RTECS-Nr. | ET5957500 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 22-26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
(R)-(-)-2-phenylbutyryl chloride may be employed as chiral reagent for the determination of dopamine and dopamine-derived salsolinol and norsalsolinol in human brain by GC-MS method. Chiral (S)-(+)-2-phenylbutyryl chloride may be used as derivatization reagent for the hydroxyl groups during the GC-MS assay for the enantiomers of 1,2-propanediol, 1,3-butanediol, 1,3-pentanediol and their corresponding hydroxyacids in biological fluids.