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(3,4-Dichlorphenoxy)essigsure
3,4-D · 3,4-da · 3,4-d (iso) · 3,4-D solution · LABOTEST-BB LT00233086 · Adrenaline Impurity 70 · 3,4-DICHLOROPHENOXYACETIC ACID · (3,4-dichlorophenoxy)-aceticaci
Identifikatoren & physikalische Daten
| CAS No. | 588-22-7 |
|---|---|
| Summenformel | C8H6Cl2O3 |
| Durchschnittliche Molmasse | 221,03 g/mol |
| Monoisotopische Masse | 219,96939941 g/mol |
| SMILES | O=C(O)COc1ccc(Cl)c(Cl)c1 |
| InChIKey | SNYRXHULAWEECU-UHFFFAOYSA-N |
| PubChem CID | 11495 |
| ChEMBL | CHEMBL175414 |
| ChEBI | CHEBI:393747 |
| EC No. | 209-612-4 |
| DTXSID | DTXSID70207524 |
| Lokaler Name | (3,4-Dichlorphenoxy)essigsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 186 |
| LogP (Verteilungskoeffizient) | 2.81 |
| Schmelzpunkt | 138-140 °C(lit.) |
| Siedepunkt | 316.96°C (rough estimate) |
| Dichte | 1.4564 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Flammpunkt | 2 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)457.6mg/L(25 ºC) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 2.99±0.10(Predicted) |
| Farbe | White |
| InChI | 1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | SNYRXHULAWEECU-UHFFFAOYSA-N |
| SMILES | OC(=O)COc1ccc(Cl)c(Cl)c1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (15.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 2918999090 |
| RTECS-Nr. | AG6830000 |
| R-Sätze (R) | 36/37/38-36-20/21/22-11 |
| Gefahrensymbole | Xi,Xn,F |
| Sicherheitshinweise (S) | 26-37/39-36-16 |
| Gefahrenklasse | 6.1(b)Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,4-Dichlorophenoxyacetic acid was used in the synthesis of layered organic-inorganic nanohybrid material, zinc-aluminum-3,4-dicholorophenoxyacetate.