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4-Bromo-3-nitrobenzaldehyde
AKOS B028535 · CAS:163596-75-6 · TIMTEC-BB SBB009829 · ART-CHEM-BB B028535 · 4-Bromo-3-nitro-benzaldehyde · Benzaldehyde,4-broMo-3-nitro- · 4-Bromo-3-nitrobenzaldehyde 97% · 3 - Nitro -4- BroMobenzaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 163596-75-6 |
|---|---|
| Summenformel | C7H4BrNO3 |
| Durchschnittliche Molmasse | 230,02 g/mol |
| Monoisotopische Masse | 228,93746 g/mol |
| SMILES | O=Cc1ccc(Br)c([N+](=O)[O-])c1 |
| InChIKey | SAFSVELFSYQXOV-UHFFFAOYSA-N |
| PubChem CID | 808792 |
| EC No. | 626-849-2 |
| DTXSID | DTXSID50355613 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 192 |
| Schmelzpunkt | 104-108 °C (lit.) |
| Siedepunkt | 289.3±30.0 °C(Predicted) |
| Dichte | 1.781±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light red to Green |
| InChI | InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H |
| InChIKey | SAFSVELFSYQXOV-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(Br)C([N+]([O-])=O)=C1 |
| CAS Datenbank | 163596-75-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (95.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (95.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin Sens. 1 (95.2%)Eye Irrit. 2 (100%)STOT SE 3 (97.6%)Aquatic Acute 1 (95.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 2913000090 |
| R-Sätze (R) | 36/37/38-50-43-38-22 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-61-45-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Bromo-3-nitrobenzaldehyde is a benzaldehyde derivative, mainly used as an intermediate component in organic synthesis. It can be used to prepare 4-Bromo-3-chlorobenzoic acid and other benzoic acid compounds.