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Methyl-2,4-dichlorbenzoat
RARECHEM AL BF 0019 · Methyl 2,4-dichlorobenzoate · Methyle2, 4-dichlorobenzoate · Methyl2,4-Dichlorobenzoate>Methyl 2,4-dichlorobenzoate 97% · 2,4-DICHLOROBENZOIC ACID METHYL ESTER · 2,4-Dichloro-benzoic acid ethyl ester · Benzoic acid, 2,4-dichloro-, methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 35112-28-8 |
|---|---|
| Summenformel | C8H6Cl2O2 |
| Durchschnittliche Molmasse | 205,03 g/mol |
| Monoisotopische Masse | 203,97448479 g/mol |
| SMILES | COC(=O)c1ccc(Cl)cc1Cl |
| InChIKey | VCRWILYAWSRHBN-UHFFFAOYSA-N |
| PubChem CID | 37055 |
| EC No. | 252-374-1 |
| DTXSID | DTXSID60188611 |
| Lokaler Name | Methyl-2,4-dichlorbenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| Schmelzpunkt | 154-155℃ |
| Siedepunkt | 239 °C (lit.) |
| Dichte | 1.386 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.557(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| InChI | 1S/C8H6Cl2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3 |
| InChIKey | VCRWILYAWSRHBN-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(Cl)cc1Cl |
| CAS Datenbank | 35112-28-8(CAS DataBase Reference) |
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-23 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Methyl 2,4-dichlorobenzoate may be used in the synthesis of 2,4-dichloro-benzohydroxamic acid.