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o-Chlorphenylessigsure
2-(2-chlorophenyl)acetic acid · Ortho Chloro Phenyl Acetic Acid · OCPA · NSC 4613 · RARECHEM AL BO 0111 · 2-Chlorophenylacetic · LABOTEST-BB LT00452739 · chlorophenylaceticacid
Identifikatoren & physikalische Daten
| CAS No. | 2444-36-2 |
|---|---|
| Summenformel | C8H7ClO2 |
| Durchschnittliche Molmasse | 170,59 g/mol |
| Monoisotopische Masse | 170,01345714 g/mol |
| SMILES | O=C(O)Cc1ccccc1Cl |
| InChIKey | IUJAAIZKRJJZGQ-UHFFFAOYSA-N |
| PubChem CID | 17124 |
| EC No. | 219-482-0 |
| DTXSID | DTXSID50179194 |
| Lokaler Name | o-Chlorphenylessigsure |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 147 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 92-95 °C(lit.) |
| Siedepunkt | 145°C 5mm |
| Dichte | 1.2315 (rough estimate) |
| Brechungsindex | 1.5660 (estimate) |
| Flammpunkt | 145°C/5mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 4.07(at 25℃) |
| Aggregatzustand | Powder |
| Farbe | White to light yellow |
| BRN | 1101523 |
| InChI | InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | IUJAAIZKRJJZGQ-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=CC=C1Cl |
| CAS Datenbank | 2444-36-2(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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzeneacetic acid, 2-chloro-2-Chlorophenylacetic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
2-Chlorophenylacetic acid has been used in the synthesis of phenylacetoxy cellulosics and its halogenated derivatives.