HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-3-nitrophenol
2-BroMo-3-nitropheno · 2-BROMO-3-NITROPHENOL · Phenol, 2-broMo-3-nitro- · 2-Bromo-3-nitrophenol 97+% · 2-Bromo-3-nitrophenol, 95% (Custom work) · (S)-1-phenyl-2-methoxyethylamine hydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 101935-40-4 |
|---|---|
| Summenformel | C6H4BrNO3 |
| Durchschnittliche Molmasse | 218 g/mol |
| Monoisotopische Masse | 216,93746 g/mol |
| SMILES | O=[N+]([O-])c1cccc(O)c1Br |
| InChIKey | HRVRWIBVVHOHNN-UHFFFAOYSA-N |
| PubChem CID | 8167254 |
| EC No. | 806-650-9 |
| DTXSID | DTXSID00429111 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 158 |
| Schmelzpunkt | 147.5°C |
| Siedepunkt | 248°C |
| Dichte | 1.881 |
| Brechungsindex | 1.6090 (estimate) |
| Flammpunkt | 104°C |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 7.39±0.25(Predicted) |
| Farbe | Beige/brown |
| InChI | InChI=1S/C6H4BrNO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H |
| InChIKey | HRVRWIBVVHOHNN-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=CC([N+]([O-])=O)=C1Br |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Zollcode | 2908990000 |
Anwendungen & Verwendung
Verwenden
In laboratory research and chemical synthesis, 2-bromo-3-nitrophenol is mainly used as a multifunctional organic synthesis intermediate and chiral structural unit.