HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(5-Bromopyridin-3-yl)acetic acid
5-Bromo-3-pyridylacetic acid · 5-Bromo-3-pyridineacetic acid · 3-Pyridineacetic acid, 5-bromo- · (5-Bromo-3-pyridinyl)acetic acid · 5-BROMO-3-PYRIDYLACETIC ACID, 98+% · (5-BROMO-PYRIDIN-3-YL)-ACETIC ACID · 2-(5-broMopyridin-3-yl) acetic aci · 5-BroMo-3-pyridineacetic acid, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 39891-12-8 |
|---|---|
| Summenformel | C7H6BrNO2 |
| Durchschnittliche Molmasse | 216,03 g/mol |
| Monoisotopische Masse | 214,95819053 g/mol |
| SMILES | O=C(O)Cc1cncc(Br)c1 |
| InChIKey | UETIDNDXXGCJCE-UHFFFAOYSA-N |
| PubChem CID | 2802539 |
| EC No. | 670-361-2 |
| DTXSID | DTXSID50384362 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 151 |
| Schmelzpunkt | 182-185°C |
| Siedepunkt | 349.9±27.0 °C(Predicted) |
| Dichte | 1.710±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 3.86±0.10(Predicted) |
| Aggregatzustand | powder |
| Farbe | Pale brown |
| Löslichkeit | Soluble in water. |
| BRN | 388264 |
| InChI | InChI=1S/C7H6BrNO2/c8-6-1-5(2-7(10)11)3-9-4-6/h1,3-4H,2H2,(H,10,11) |
| InChIKey | UETIDNDXXGCJCE-UHFFFAOYSA-N |
| SMILES | C1=NC=C(Br)C=C1CC(O)=O |
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
5-Bromo-3-pyridineacetic acid acts as an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field.