HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Bromphenylessigsure
2-(4-BROMOPHENYL)ACETIC ACID · PARA BROMO PHENYL ACETIC ACID · P-BROMOPHENYLACETIC ACID · 4-bromo-benzeneaceticaci · 4-Bromobenzeneaceticacid · (p-bromophenyl)-aceticaci · 4BPAA · NSC 14358
Identifikatoren & physikalische Daten
| CAS No. | 1878-68-8 |
|---|---|
| Summenformel | C8H7BrO2 |
| Durchschnittliche Molmasse | 215,04 g/mol |
| Monoisotopische Masse | 213,96294156 g/mol |
| SMILES | O=C(O)Cc1ccc(Br)cc1 |
| InChIKey | QOWSWEBLNVACCL-UHFFFAOYSA-N |
| PubChem CID | 74654 |
| ChEBI | CHEBI:1790 |
| EC No. | 217-523-7 |
| DTXSID | DTXSID2062032 |
| Lokaler Name | p-Bromphenylessigsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| LogP (Verteilungskoeffizient) | 2.31 |
| Schmelzpunkt | 114-117 °C(lit.) |
| Siedepunkt | 252.95°C (rough estimate) |
| Dichte | 1.5313 (rough estimate) |
| Brechungsindex | 1.4620 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | ethanol: soluble5%, clear, colorless to light yellowSLIGHTLY SOLUBLE |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1: 4.188 (25°C) |
| Farbe | Almost white to light yellow-beige |
| BRN | 972146 |
| InChI | 1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | QOWSWEBLNVACCL-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccc(Br)cc1 |
| LogP (Verteilungskoeffizient) | 2.310 |
| CAS Datenbank | 1878-68-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Bromophenylacetic acid(1878-68-8) |
| EPA chemische Informationen | 4-Bromophenylacetic acid (1878-68-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (83.7%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.4-Bromophenylacetic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (83.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163900 |
| RTECS-Nr. | AF6325000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26-26/37/39-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Bromophenylacetic acid was used as standard in the extraction of nonylphenol polyethoxy carboxylates with 1-4 ethoxy groups from sludge samples.