HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Brommethyl-2-naphthylketon
2-broMo-1-(naphthalen-2-yl)ethanone · 2-(BROMOACETYL)NAPHTHALENE · AKOS BBS-00004048 · TIMTEC-BB SBB000883 · SS-NAPHTHACYLBROMIDE · 2-Bromoacetonaphthalene · à-bromo-2-acetonaphthone · 2-BROMO-2-ACETONAPHTHONE
Identifikatoren & physikalische Daten
| CAS No. | 613-54-7 |
|---|---|
| Summenformel | C12H9BrO |
| Durchschnittliche Molmasse | 249,1 g/mol |
| Monoisotopische Masse | 247,98367701 g/mol |
| SMILES | O=C(CBr)c1ccc2ccccc2c1 |
| InChIKey | YHXHHGDUANVQHE-UHFFFAOYSA-N |
| PubChem CID | 69179 |
| ChEMBL | CHEMBL101423 |
| EC No. | 210-348-7 |
| DTXSID | DTXSID70210199 |
| Lokaler Name | Brommethyl-2-naphthylketon |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 214 |
| Schmelzpunkt | 82-84 °C(lit.) |
| Siedepunkt | 349.8±15.0 °C(Predicted) |
| Dichte | 1.4188 (rough estimate) |
| Brechungsindex | 1.5130 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | acetonitrile: soluble |
| Aggregatzustand | Crystalline Powder |
| Farbe | Purple-brownish |
| BRN | 639153 |
| InChI | InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2 |
| InChIKey | YHXHHGDUANVQHE-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=C2C(=C1)C=CC=C2)CBr |
| CAS Datenbank | 613-54-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Ethanone, 2-bromo-1-(2-naphthalenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29147000 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Bromo-2′-acetonaphthone was used to determine the concentration of tetra-acids in calcium naphthenate deposits. 2-Bromo-2′-acetonaphthone was used as derivation reagent for determination of fatty acids extracted from Botryococcus braunii by HPLC.