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2,4-dichlorphenylessigsaeure
DCAA · 2-(2,4-dichlorophenyl)acetic acid · 2,4-DCPA · 2,4-dcaa acid · 2.4-Dichloroph · RARECHEM AL BO 0113 · TIMTEC-BB SBB003502 · LABOTEST-BB LT00454968
Identifikatoren & physikalische Daten
| CAS No. | 19719-28-9 |
|---|---|
| Summenformel | C8H6Cl2O2 |
| Durchschnittliche Molmasse | 205,03 g/mol |
| Monoisotopische Masse | 203,97448479 g/mol |
| SMILES | O=C(O)Cc1ccc(Cl)cc1Cl |
| InChIKey | GXMWLJKTGBZMBH-UHFFFAOYSA-N |
| PubChem CID | 88209 |
| ChEMBL | CHEMBL3185822 |
| EC No. | 243-248-7 |
| DTXSID | DTXSID4041363 |
| Lokaler Name | 2,4-dichlorphenylessigsaeure |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| Schmelzpunkt | 129-131 °C (lit.) |
| Siedepunkt | 294.45°C (rough estimate) |
| Dichte | 1.3806 (rough estimate) |
| Brechungsindex | 1.5490 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | methanol: 0.1 g/mL, clearSOLUBLE IN HOT WATER |
| pKa (Säurekonstante) | 3.92±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to pale yellow-beige |
| BRN | 1948767 |
| InChI | 1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12) |
| InChIKey | GXMWLJKTGBZMBH-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccc(Cl)cc1Cl |
| LogP (Verteilungskoeffizient) | -0.3-2.8 at 23℃ and pH2-7 |
| CAS Datenbank | 19719-28-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Dichlorophenylacetic acid(19719-28-9) |
| EPA chemische Informationen | 2,4-Dichlorophenylacetic acid (19719-28-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.8%): 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 80 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzeneacetic acid, 2,4-dichloro-Status: Active Update: 11-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11714 |
| Hazard Classes and Categories | Skin Irrit. 2 (98.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38-67 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,4-Dichlorophenylacetic acid has been used as internal standard in:determination of phenoxyalkanoic acid herbicides in blood by GC with electron-capture detectiondetermination of 2-methyl-4-chlorophenoxyacetic acid (herbicide) in soils by GC technique