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Methyltrichloracetat
methyl 2,2,2-trichloroacetate · oroacetate · TCA-Methyl est · TCA-METHYL ESTER · RARECHEM AL BF 1451 · Piracetam Impurity 9 · Methyl trichlroracetate · METHYL TRICHLOROACETATE
Identifikatoren & physikalische Daten
| CAS No. | 598-99-2 |
|---|---|
| Summenformel | C3H3Cl3O2 |
| Durchschnittliche Molmasse | 177,41 g/mol |
| Monoisotopische Masse | 175,91986238 g/mol |
| SMILES | COC(=O)C(Cl)(Cl)Cl |
| InChIKey | VHFUHRXYRYWELT-UHFFFAOYSA-N |
| PubChem CID | 11739 |
| EC No. | 209-960-7 |
| DTXSID | DTXSID0060517 |
| Lokaler Name | Methyltrichloracetat |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 95,2 |
| Stoffklassen | Other Classes -> Chloroacetic Acid Derivatives |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 2.03 |
| Dampfdruck | 5.5 [mmHg] |
| Physical Description | Methyl trichloroacetate appears as a colorless liquid. Insoluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.[CAMEO] |
| Schmelzpunkt | -18°C |
| Siedepunkt | 152-153 °C (lit.) |
| Dichte | 1.488 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.455(lit.) |
| Flammpunkt | 163 °F |
| Lagerbedingungen | room temp |
| Löslichkeit | 1050mg/lInsoluble in water |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 1756075 |
| Dielektrizitätskonstante | 8.7899999999999991 |
| InChI | 1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3 |
| InChIKey | VHFUHRXYRYWELT-UHFFFAOYSA-N |
| SMILES | COC(=O)C(Cl)(Cl)Cl |
| LogP (Verteilungskoeffizient) | 2.03 |
| CAS Datenbank | 598-99-2(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, trichloro-, methyl ester(598-99-2) |
| EPA chemische Informationen | Acetic acid, 2,2,2-trichloro-, methyl ester (598-99-2) |
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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, trichloro-, methyl esterStatus: Active Update: 24-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11414Methyl trichloroacetate: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· Combustible material: may burn but does not ignite readily. |
| Gesundheitsgefahren | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| Gefahrenübersicht | May cause mild irritation[CAMEO] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Trichloroacetic acid and Sodium trichloroacetate. |
| DOT-Nummer und Handbuch | 2533 156 |
| Reaktive Gruppe | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Reactivity Profile | A halogenated ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. A mixture of the ester and trimethylamine reacted violently. Polymerization of a reactive dehydrochlorination of the ester was viewed as the most likely product, along with generous amounts of heat. |
Anwendungen & Verwendung
Verwenden
Methyl trichloroacetate was used for negative staining of protein that allowed unmodified proteins to be recovered for biological studies or transblot for amino acid sequence.