HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Phenoxybenzoesure
2-phenoxybenzoate · RARECHEM AL BE 1507 · 2-phenoxy-benzoicaci · O-PHENOXYBENZOIC ACID · 2-Phenoxybenzoic acid · O-phenylsalicylic acid · LABOTEST-BB LT00455377 · 2-CARBOXY-DIPHENYL ETHER
Identifikatoren & physikalische Daten
| CAS No. | 2243-42-7 |
|---|---|
| Summenformel | C13H10O3 |
| Durchschnittliche Molmasse | 214,22 g/mol |
| Monoisotopische Masse | 214,06299418 g/mol |
| SMILES | O=C(O)c1ccccc1Oc1ccccc1 |
| InChIKey | PKRSYEPBQPFNRB-UHFFFAOYSA-N |
| PubChem CID | 75237 |
| ChEMBL | CHEMBL2219842 |
| ChEBI | CHEBI:72636 |
| EC No. | 218-811-5 |
| DTXSID | DTXSID8062286 |
| Lokaler Name | 2-Phenoxybenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 233 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 3.11 |
| Schmelzpunkt | 110-112 °C (lit.) |
| Siedepunkt | 355 °C |
| Dichte | 1.1553 |
| Brechungsindex | 1.5090 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.53(at 25℃) |
| Farbe | Pale Purple |
| BRN | 978452 |
| InChI | 1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15) |
| InChIKey | PKRSYEPBQPFNRB-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1Oc2ccccc2 |
| CAS Datenbank | 2243-42-7(CAS DataBase Reference) |
| EPA chemische Informationen | Benzoic acid, 2-phenoxy- (2243-42-7) |
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29189900 |
| RTECS-Nr. | DH6293560 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | TDLo ivn-rat: 10,711 mg/kg BIPBU* 25,686,2002 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Phenoxybenzoic acid was used as an internal standard in the quantification of pyrethroid metabolites.