HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Brom-2-methylpropionsure
2-Bromo-2-methylpropanoic acid · 2-BROMOISOBUTYRIC ACID · Isobromobutyric acid · A-BROMOISOBUTYRIC ACID · α-Bromoisobutyric acid · 2-bromo-2-methyl-Propanoicacid · 2-broMo isobutyrate · pha-Bromoisobutyric acid
Identifikatoren & physikalische Daten
| CAS No. | 2052-01-9 |
|---|---|
| Summenformel | C4H7BrO2 |
| Durchschnittliche Molmasse | 167 g/mol |
| Monoisotopische Masse | 165,96294156 g/mol |
| SMILES | CC(C)(Br)C(=O)O |
| InChIKey | XXSPGBOGLXKMDU-UHFFFAOYSA-N |
| PubChem CID | 74924 |
| EC No. | 218-139-2 |
| DTXSID | DTXSID8062151 |
| Lokaler Name | 2-Brom-2-methylpropionsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 87,7 |
| Schmelzpunkt | 44-47 °C(lit.) |
| Siedepunkt | 198-200 °C(lit.) |
| Dichte | 1.43 g/cm3 |
| Brechungsindex | 1.4570 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | soluble in Chloroform, MethanolSoluble in alcohol and ether. Slightly soluble in water. |
| pKa (Säurekonstante) | 2.91±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Merck | 14,1421 |
| BRN | 1745543 |
| Stabilität | Stable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7) |
| InChIKey | XXSPGBOGLXKMDU-UHFFFAOYSA-N |
| SMILES | CC(C)(Br)C(O)=O |
| CAS Datenbank | 2052-01-9(CAS DataBase Reference) |
| NIST chemische Informationen | «alpha»-Bromoisobutyric acid(2052-01-9) |
| EPA chemische Informationen | Propanoic acid, 2-bromo-2-methyl- (2052-01-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1 (100%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29156000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-25 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Bromo-2-methylpropionic acid is used in the Herceptin functionalization of polyhedral oligomeric silsesquioxane-conjugated oligomers-silica /iron oxide nanoparticles for tumor cell sorting.