HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Bromvaleriansaeure
5-BROMOPENTANOIC ACID · eric acid · 5-valeric · 5-BromovaL · 5-BROMOVALENC ACID · 5-bromoacetic acid · RARECHEM AL BO 0181 · 5-BROMOVALERIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 2067-33-6 |
|---|---|
| Summenformel | C5H9BrO2 |
| Durchschnittliche Molmasse | 181,03 g/mol |
| Monoisotopische Masse | 179,97859163 g/mol |
| SMILES | O=C(O)CCCCBr |
| InChIKey | WNXNUPJZWYOKMW-UHFFFAOYSA-N |
| PubChem CID | 16368 |
| EC No. | 218-185-3 |
| DTXSID | DTXSID2062163 |
| Lokaler Name | 5-Bromvaleriansaeure |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 72,8 |
| Stoffklassen | Other Classes -> Organic Acids |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Dampfdruck | 0.01 [mmHg] |
| Physical Description | White crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 38-40 °C (lit.) |
| Siedepunkt | 142-145 °C (13 mmHg) |
| Dichte | 1.4210 (rough estimate) |
| Brechungsindex | 1.4790 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 95% ethanol: soluble50mg/mL, clear, colorless to faintly yellowSoluble in ethanol. Insoluble in water. |
| Aggregatzustand | Crystals or Crystalline Powder |
| pKa (Säurekonstante) | 4+-.0.10(Predicted) |
| Farbe | Yellow to light brown |
| BRN | 1745664 |
| InChI | 1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8) |
| InChIKey | WNXNUPJZWYOKMW-UHFFFAOYSA-N |
| SMILES | OC(=O)CCCCBr |
| CAS Datenbank | 2067-33-6(CAS DataBase Reference) |
| NIST chemische Informationen | Valeric acid, 5-bromo(2067-33-6) |
| EPA chemische Informationen | 5-Bromovaleric acid (2067-33-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (15.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 59 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/193125-Bromovaleric acid: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See 3-Bromopropionic acid. |
| Hazard Classes and Categories | Acute Tox. 4 (15.3%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN3261 |
| Zollcode | 29159080 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
5-Bromovaleric acid is an important raw material for organic synthesis and a commonly used reagent for chemical reactions. It can be used in the synthesis of the natural mosquito egg-laying pheromone red-6-acetoxy-5-hexadecanolactone, alkylammonium amphoteric amino acid derivatives and water-soluble nanoplatelets.
Verwenden
5-Bromovaleric acid is used in the synthesis of inhibitors for aminoglycoside resistant bacteria. 5-Bromovaleric acid is also used in the preparation of sequence specific base pair mimics as topoisomerase IB inhibitors.