HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 23398394Erstellt: 25. Oktober 2026
Methyl 2-(5-bromopyridin-3-yl)acetate
methyl 2-(5-bromo-3-pyridyl)acetate · METHYL (5-BROMO-3-PYRIDINYL)ACETATE · 3-Pyridineacetic acid, 5-broMo-, Methyl ester · methyl 2-(5-bromo-3-pyridyl)acetate - [M37671] · (5-bromo-pyridin-3-yl)-acetic acid methyl ester
https://huagongshe.com/de/chemical/23398394
Identifikatoren & physikalische Daten
| CAS No. | 118650-08-1 |
|---|
| Summenformel | C8H8BrNO2 |
|---|
| Durchschnittliche Molmasse | 230,06 g/mol |
|---|
| Monoisotopische Masse | 228,97384 g/mol |
|---|
| SMILES | COC(=O)Cc1cncc(Br)c1 |
|---|
| InChIKey | GHJJIFVFBRAMEB-UHFFFAOYSA-N |
|---|
| PubChem CID | 23398394 |
|---|
| EC No. | 861-692-5 |
|---|
| DTXSID | DTXSID40633593 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|
| Polarare Oberfläche (TPSA) | 39,2 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 163 |
|---|
| Siedepunkt | 284.3±25.0 °C(Predicted) |
|---|
| Dichte | 1.517±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Storage temp. 2-8°C |
|---|
| pKa (Säurekonstante) | 2.08±0.21(Predicted) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]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, 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. 2A (100%)STOT SE 3 (100%) |
|---|
| Alarmwort | Warnung |
|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
|---|