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2,4,6-Trichlorphenoxyessigsure
2-(2,4,6-Trichlorophenoxy)acetic acid · AURORA 21967 · 2,4,6-T STANDARD · AKOS BBS-00007917 · Bifeprunox Impurity 58 · Prochloraz metabolite 3 · 2,4,6-T in Acetonitrile · 2,4,6-TRICHLOROPHENOXYACETIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 575-89-3 |
|---|---|
| Summenformel | C8H5Cl3O3 |
| Durchschnittliche Molmasse | 255,5 g/mol |
| Monoisotopische Masse | 253,930427 g/mol |
| SMILES | O=C(O)COc1c(Cl)cc(Cl)cc1Cl |
| InChIKey | KZDCLQBOHGBWOI-UHFFFAOYSA-N |
| PubChem CID | 11331 |
| ChEMBL | CHEMBL173077 |
| EC No. | 209-394-0 |
| DTXSID | DTXSID70206113 |
| Lokaler Name | 2,4,6-Trichlorphenoxyessigsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 200 |
| Schmelzpunkt | 185°C |
| Siedepunkt | 361.82°C (rough estimate) |
| Dichte | 1.6048 (rough estimate) |
| Brechungsindex | 1.4700 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)247.8mg/L(25 ºC) |
| pKa (Säurekonstante) | 2.87±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Stabilität | Incompatible with bases, strong oxidizing agents. |
| InChI | InChI=1S/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13) |
| InChIKey | KZDCLQBOHGBWOI-UHFFFAOYSA-N |
| SMILES | C(O)(=O)COC1=C(Cl)C=C(Cl)C=C1Cl |
| CAS Datenbank | 575-89-3 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Acetic acid, (2,4,6-trichlorophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (95%)Eye Irrit. 2 (97.5%) |
| UN-Transportnummer | UN 2811 6.1/PG III |
| Zollcode | 2918.99.4700 |
| RTECS-Nr. | AJ8405000 |
| R-Sätze (R) | 20/21/22-36/37/38-40 |
| Sicherheitshinweise (S) | 22-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
(2,4,6-Trichlorophenoxy)acetic Acid is suitable for plant cell culture testing. Post-emergence herbicide.