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Phenylmethylchloracetat
BENZYL CHLOROACETATE · AKOS B029322 · monochloroacetate · benzyl chloracetate · Benzyl 2-chloroaceta · BENZYL-(CHLORACETAT) · benzyl 2-chloroacetate · benzylmonochloracetate
Identifikatoren & physikalische Daten
| CAS No. | 140-18-1 |
|---|---|
| Summenformel | C9H9ClO2 |
| Durchschnittliche Molmasse | 184,62 g/mol |
| Monoisotopische Masse | 184,02910721 g/mol |
| SMILES | O=C(CCl)OCc1ccccc1 |
| InChIKey | SOGXBRHOWDEKQB-UHFFFAOYSA-N |
| PubChem CID | 8786 |
| EC No. | 205-400-0 |
| DTXSID | DTXSID8059689 |
| Lokaler Name | Phenylmethylchloracetat |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 141 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 90 °C/1 mmHg (lit.) |
| Dichte | 1.215 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.525(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| Wichte | 1.215 |
| Farbe | Oil |
| Löslichkeit | insoluble |
| InChI | 1S/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | SOGXBRHOWDEKQB-UHFFFAOYSA-N |
| SMILES | ClCC(=O)OCc1ccccc1 |
| CAS Datenbank | 140-18-1(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, chloro-, phenylmethyl ester (140-18-1) |
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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, chloro-, phenylmethyl esterStatus: Active Update: 03-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19644Acetic acid, chloro-, phenylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29154000 |
| RTECS-Nr. | AF8750000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LDLo ipr-mus: 500 mg/kg CBCCT* 8,99,56 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Benzyl chloroacetate may be used:in the synthesis of monoesters of phosphonoacetic acidin the synthesis of N-benzoyl-glycyl- hydroxyl acetic acid, ester substrate for carboxypeptidase Y catalyzed peptide synthesisas reagent in the total syntheses of the (±)-di-O-methyl ethers of the norlignans sequirin-A, agatharesinol, and hinokiresinol, and of (±)-tri-O-methyl sequirin-E