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Methyl dichloroacetate
METHYL DICHLOROACETATE · NSC 2882 · TwoMethyl chloroacetate · methyldichloroethanoate · methyl2,2-dichloroacetate · Dichloroacetic acid methyl · Methyl Dichloroacetate >Methyl dichloroacetate,purum · METHYL DICHLOROACETATE, 99+%
Identifikatoren & physikalische Daten
| CAS No. | 116-54-1 |
|---|---|
| Summenformel | C3H4Cl2O2 |
| Durchschnittliche Molmasse | 142,97 g/mol |
| Monoisotopische Masse | 141,95883473 g/mol |
| SMILES | COC(=O)C(Cl)Cl |
| InChIKey | HKMLRUAPIDAGIE-UHFFFAOYSA-N |
| PubChem CID | 8315 |
| EC No. | 204-146-8 |
| DTXSID | DTXSID2059433 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 71,3 |
| Stoffklassen | Other Classes -> Halogenated EstersFlammable agents - 2nd degree |
| SpringerMaterials Properties | Schoenflies notation |
| Dichte | 1.3774 at 68 °F (USCG, 1999) - Denser than waterwill sink1.381 g/mL at 25 °C (lit.) |
| Flammpunkt | 176 °F (USCG, 1999) |
| Siedepunkt | 289 °F at 760 mmHg (USCG, 1999)143 °C (lit.) |
| Schmelzpunkt | -62 °F (USCG, 1999)-52 °C (lit.) |
| Dampfdruck | 4.5 [mmHg] |
| Physical Description | Methyl dichloroacetate appears as a colorless liquid with an ethereal odor. Combustible. Flash point 176 °F. Corrosive to metals and tissue. Used to make other chemicals.Colorless liquid with an ethereal odor[CAMEO] |
| Brechungsindex | n20/D 1.442(lit.) |
| Lagerbedingungen | room temp |
| Löslichkeit | 4g/lSlightly soluble |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| pH | 3.8 (4g/l, H2O, 20℃) |
| BRN | 1747542 |
| InChI | 1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3 |
| InChIKey | HKMLRUAPIDAGIE-UHFFFAOYSA-N |
| SMILES | COC(=O)C(Cl)Cl |
| CAS Datenbank | 116-54-1(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, dichloro-, methyl ester(116-54-1) |
| EPA chemische Informationen | Acetic acid, 2,2-dichloro-, methyl ester (116-54-1) |
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, P317, 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 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 31-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17723Methyl dichloroacetate: 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 | Special Hazards of Combustion Products: Produces toxic fumes of phosgene and HCl. (USCG, 1999)· Combustible material: may burn but does not ignite readily. |
| Gesundheitsgefahren | Extremely destructive to the eyes, nose, throat, and upper respiratory tract. May be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| Gefahrenübersicht | Reacts with water producing dichloroacetic acidCorrosive to tissue[CAMEO] Hydrolyzed evolving corrosive productsCauses severe skin irritation and serious eye injuryBrief contact can causes second- and third-degree skin burnsInhalation may cause pulmonary edema and chemical pneumonitis[CHRIS] Causes focal lung fibrosis and GI changes in inhalation lethal-concentration studies of rats[RTECS] Reacts with waterCauses burns (especially if skin is wet or moist)Inhalation may cause corrosive injuries to upper respiratory tract and lungs[Acros Organics MSDS] |
| DOT-Nummer und Handbuch | 2299 156 |
| Reaktive Gruppe | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | METHYL DICHLOROACETATE produces toxic fumes of phosgene and HCl when heated (USCG, 1999). |
| DOT Hazard Classification | Methyl dichloroacetateUN2299Div 6.1 Poisonous materials (49 eCFR § 173.132)PG III: the degree of danger presented by the material is minor |
| Air and Water Reactions | Decomposed by water to dichloroacetic acid, a corrosive material with evolution of heat (USCG, 1999). |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Flammable liquids - Category 4Flammable agents - 2nd degree |
| Brandbekämpfung | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | Call a physician.General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Approved respirator, chemical-resistant gloves, safety goggles or safety faceshield (8 inch minimum), other protective clothing. (USCG, 1999) |
| Emergency Response Planning Guidelines | · Note: Most foams will react with the material and release corrosive/toxic gases. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Toxicity Data | LCLo (rat) = 2,000 ppm/30min |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2299 |
| Zollcode | 29154000 |
| RTECS-Nr. | AG6625000 |
| R-Sätze (R) | 20-36/37/38-40-38-11 |
| Gefahrensymbole | Xn,Xi,F |
| Sicherheitshinweise (S) | 26-36-37/39-16-24-9 |
| Gefahrenklasse | 6.1Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Dichloroacetic Acid Methyl Ester is used in the preparation of telechelics and block copolymers through living radical polymerization.