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2-Brombenzaldehyd
ORTHO-BROMOBENZALDEHYDE · O-BROMOBENZALDEHYDE · 2-(trimethylammonio)ethyl hydrogen phosphate · o-BromobenzaL · AKOS BBS-00003178 · 2-Brombenzaldehyd · 2-BROMOBENZALDEHYDE · 2-broMo benzacehyde
Identifikatoren & physikalische Daten
| CAS No. | 6630-33-7 |
|---|---|
| Summenformel | C7H5BrO |
| Durchschnittliche Molmasse | 185,02 g/mol |
| Monoisotopische Masse | 183,95237688 g/mol |
| SMILES | O=Cc1ccccc1Br |
| InChIKey | NDOPHXWIAZIXPR-UHFFFAOYSA-N |
| PubChem CID | 81129 |
| ChEMBL | CHEMBL3236916 |
| EC No. | 229-622-2 |
| DTXSID | DTXSID8064430 |
| Lokaler Name | 2-Brombenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| Stoffklassen | Other Classes -> Benzaldehydes |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Colorless to pale yellow liquidmp = 18-21 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 16-19 °C(lit.) |
| Siedepunkt | 230 °C(lit.) |
| Dichte | 1.585 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.595(lit.) |
| Flammpunkt | 203 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)Soluble in alcohol and benzene. Insoluble in water. |
| Aggregatzustand | Liquid After Melting |
| Wichte | 1.585 |
| Farbe | Clear yellow |
| BRN | 636132 |
| InChI | 1S/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5H |
| InChIKey | NDOPHXWIAZIXPR-UHFFFAOYSA-N |
| SMILES | Brc1ccccc1C=O |
| CAS Datenbank | 6630-33-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2-bromo-(6630-33-7) |
| EPA chemische Informationen | Benzaldehyde, 2-bromo- (6630-33-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 102 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 2-bromo-2-Bromobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] See o-Chlorobenzaldehyde. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Bromobenzaldehyde is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions.