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2-Bromnaphthalin
2-Bromonapthaline · 2-BROMONAPHTALENE · 2-bromo-naphthalen · BROMONAPHTHALENE(2-) · qtm pah site monitoring solution · DI2F · 2-Bromo Nap · 2-naphthyl-Br
Identifikatoren & physikalische Daten
| CAS No. | 580-13-2 |
|---|---|
| Summenformel | C10H7Br |
| Durchschnittliche Molmasse | 207,07 g/mol |
| Monoisotopische Masse | 205,97311232 g/mol |
| SMILES | Brc1ccc2ccccc2c1 |
| InChIKey | APSMUYYLXZULMS-UHFFFAOYSA-N |
| PubChem CID | 11372 |
| ChEMBL | CHEMBL192643 |
| EC No. | 209-452-5 |
| DTXSID | DTXSID3060378 |
| Lokaler Name | 2-Bromnaphthalin |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 133 |
| Stoffklassen | Other Classes -> Naphthalenes |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dampfdruck | 0.00347 [mmHg] |
| Physical Description | Solid[Merck Index] White to pale yellow powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 52-55 °C (lit.) |
| Siedepunkt | 281-282 °C (lit.) |
| Dichte | 1,605 g/cm3 |
| Brechungsindex | 1.6382 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | methanol: soluble50mg/mL, clear, colorless to yellowslightly soluble |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow to orange-brown |
| Merck | 14,1426 |
| BRN | 1858110 |
| Henry-Konstante | 4.3×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| InChI | 1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H |
| InChIKey | APSMUYYLXZULMS-UHFFFAOYSA-N |
| SMILES | Brc1ccc2ccccc2c1 |
| CAS Datenbank | 580-13-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Bromonaphthalene(580-13-2) |
| EPA chemische Informationen | Naphthalene, 2-bromo- (580-13-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.WarningH302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Naphthalene, 2-bromo-Status: Cease Manufacture Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24311Naphthalene, 2-bromo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | A strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] See Naphthalene. |
| Hazard Classes and Categories | Acute Tox. 4 (94%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN1230 - class 3 - PG 2 - Methanol |
| Zollcode | 29039990 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
2-Bromonaphthalene is used as a raw material in the preparation of biaryls through Suzuki cross coupling reaction. Further, it plays a vital role in the preparation of dyes. It is also used to study potential tumorigenicity.