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Methylbromacetat
METHYL 2-BROMOACETATE · BAM · BROMOACETIC ACID METHYL ESTER · BROMO METHYLACETATE · 2-BROMOACETIC ACID METHYL ESTER · Methyl bomoacetate · METHYL BROMOACETATE · 2-BROMOMETHYL ACETATE
Identifikatoren & physikalische Daten
| CAS No. | 96-32-2 |
|---|---|
| Summenformel | C3H5BrO2 |
| Durchschnittliche Molmasse | 152,97 g/mol |
| Monoisotopische Masse | 151,9472915 g/mol |
| SMILES | COC(=O)CBr |
| InChIKey | YDCHPLOFQATIDS-UHFFFAOYSA-N |
| PubChem CID | 60984 |
| EC No. | 202-499-2 |
| DTXSID | DTXSID7052737 |
| Lokaler Name | Methylbromacetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 52,8 |
| Stoffklassen | Other Classes -> Halogenated EstersFlammable agents - 2nd degree |
| SpringerMaterials Properties | Chemical shift |
| Geruch | Sharp penetrating odor |
| Dichte | 1.6350 g/cu cm at 20 °C1.616 @25 °C1.616 g/mL at 25 °C (lit.) |
| Color/Form | Colorless to straw-colored liquid |
| Löslichkeit | Soluble in ethanol, ether, acetone, benzeneMiscible with methanol, ether and acetone. Slightly miscible with water |
| Corrosivity | Corrosive |
| Siedepunkt | 141 °CBP: 145.0-146.7 °CBP: 51-52 °C at 15 mm Hg145 °C @760 [mm Hg]51-52 °C/15 mmHg (lit.) |
| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides, hydrogen bromide gas.When heated to decomposition it emits toxic fumes of Br(-) |
| Schmelzpunkt | Freezing point: -50 °C-50°C |
| Brechungsindex | Index of refraction: 1.4520 at 20 °C/Dn20/D 1.458(lit.) |
| Physical Description | Methyl bromoacetate appears as a colorless to straw-colored liquid with a sharp penetrating odor. Denser than water and soluble in water. Severly irritates skin and eyes. Toxic by ingestion and inhalation. Used to make vitamins and pharmaceuticals.Colorless to straw-colored liquid with a penetrating odor[CAMEO] Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Dampfdruck | 18 hPa (50 °C) |
| Flammpunkt | 145 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Wichte | 1.416 |
| BRN | 506256 |
| InChI | 1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3 |
| InChIKey | YDCHPLOFQATIDS-UHFFFAOYSA-N |
| SMILES | COC(=O)CBr |
| LogP (Verteilungskoeffizient) | 0.71 at 25℃ |
| CAS Datenbank | 96-32-2(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, bromo-, methyl ester(96-32-2) |
| EPA chemische Informationen | Acetic acid, bromo-, methyl ester (96-32-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (98.3%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, bromo-, methyl esterStatus: Active Update: 17-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5590Restricted substance: Methyl bromoacetateMethyl bromoacetate: 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.) |
| Weitere Sicherheitsinformationen | IMAP assessments - Acetic acid, bromo-, methyl ester: Human health tier I assessment |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily. |
| Gesundheitsgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| Gefahrenübersicht | A severe skin and eye irritantToxic by ingestion and inhalation[CAMEO] Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by ingestion[Sigma-Aldrich MSDS] See Ethyl bromoacetate. |
Anwendungen & Verwendung
Verwenden
Methyl bromoacetate was used in the synthesis of novel coumarins. It was also employed in the synthesis of cis-cyclopropanes