HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromanisol
1-BROMO-2-METHOXYBENZENE · O-BROMOANISOLE · 2-BROMOANISOL · 2-broMoaniolse · o-bromo-anisol · 2-BROMOANISOLE · O-Bromoanisoles · o-anisylbromide
Identifikatoren & physikalische Daten
| CAS No. | 578-57-4 |
|---|---|
| Summenformel | C7H7BrO |
| Durchschnittliche Molmasse | 187,03 g/mol |
| Monoisotopische Masse | 185,96802694 g/mol |
| SMILES | COc1ccccc1Br |
| InChIKey | HTDQSWDEWGSAMN-UHFFFAOYSA-N |
| PubChem CID | 11358 |
| EC No. | 209-425-8 |
| DTXSID | DTXSID4060367 |
| Lokaler Name | 2-Bromanisol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Stoffklassen | Other Classes -> Halogenated Anisoles |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.87 |
| Dampfdruck | 0.28 [mmHg] |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | 2 °C (lit.) |
| Siedepunkt | 223 °C (lit.) |
| Dichte | 1.502 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.573(lit.) |
| Flammpunkt | 206 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in ethanol and diethyl ether. |
| Aggregatzustand | Liquid |
| Wichte | 1.502 |
| Farbe | Clear colorless to slightly yellow |
| BRN | 1859996 |
| Henry-Konstante | 2.9×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001) |
| Dielektrizitätskonstante | 8.9600000000000009 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 |
| InChIKey | HTDQSWDEWGSAMN-UHFFFAOYSA-N |
| SMILES | COc1ccccc1Br |
| CAS Datenbank | 578-57-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Bromo-2-methoxybenzene(578-57-4) |
| EPA chemische Informationen | Benzene, 1-bromo-2-methoxy- (578-57-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.1% (2 of 33) of reports.WarningH315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 33 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 1-bromo-2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes tetany in oral lethal-dose studies of mice and ratsCauses ataxia, coma, and cough in inhalation lethal-concentration studies of mice[RTECS] May cause irritation[Alfa Aesar MSDS] See 4-Bromoanisole and 3-Bromoanisole. |
| Hazard Classes and Categories | Skin Irrit. 2 (15.2%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (mouse) = 20 mg/m3 |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 29093038 |
| RTECS-Nr. | BZ8500000 |
| R-Sätze (R) | 51/53 |
| Gefahrensymbole | N,Xi |
| Sicherheitshinweise (S) | 61-24/25 |
| Gefahrenklasse | 9Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
2-Bromoanisole was used in the synthesis of unsymmetrical substituted biphenyl compounds, used to produce (2-methoxy-phenyl)-acetone at the temperature of 100°C.