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5-Bromsalicylaldehyd
5-BROMO-2-HYDROXYBENZALDEHYDE · 5-Bromosalicylaldehyde,98% · 5-Bromo-2-hydroxybenzaldehyde ,99% · NSC 9258 · NSC 7310 · AKOS BBS-00003168 · 5-bromo-salicylal · 5-Bromosalicylaldehy
Identifikatoren & physikalische Daten
| CAS No. | 1761-61-1 |
|---|---|
| Summenformel | C7H5BrO2 |
| Durchschnittliche Molmasse | 201,02 g/mol |
| Monoisotopische Masse | 199,9472915 g/mol |
| SMILES | O=Cc1cc(Br)ccc1O |
| InChIKey | MKKSTJKBKNCMRV-UHFFFAOYSA-N |
| PubChem CID | 72863 |
| ChEMBL | CHEMBL207194 |
| EC No. | 217-167-2 |
| DTXSID | DTXSID8022165 |
| Lokaler Name | 5-Bromsalicylaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 127 |
| Schmelzpunkt | 102-106 °C (lit.) |
| Siedepunkt | 247.3±20.0 °C(Predicted) |
| Dichte | 1.737±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | 0.1g/l (experimental)insoluble |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 7.60±0.18(Predicted) |
| Farbe | Slightly yellow to yellow-beige |
| BRN | 774710 |
| InChI | 1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H |
| InChIKey | MKKSTJKBKNCMRV-UHFFFAOYSA-N |
| SMILES | Oc1ccc(Br)cc1C=O |
| CAS Datenbank | 1761-61-1(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Bromo-2-hydroxybenzaldehyde(1761-61-1) |
| EPA chemische Informationen | Benzaldehyde, 5-bromo-2-hydroxy- (1761-61-1) |
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 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 5-Bromo-2-hydroxybenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Bromosalicylaldehyde was used for chemical derivatization during amine quantiifcation in poly (ethylene terephthalate) (PET) film and PET scaffold.