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Ethyl-2-brompropionat
ETHYL 2-BROMOPROPANOATE · DL-ETHYL 2-BROMOPROPIONATE · Ethyl 2-broMopropion · Ethyl-bromopropanoate · Ethyl 2-bromopropiote · Ethyl a-bromopropionate · ETHYL 2-BROMOPROPIONATE · Flurbiprofen impurity Ⅱ
Identifikatoren & physikalische Daten
| CAS No. | 41978-69-2 |
|---|---|
| Summenformel | C5H9BrO2 |
| Durchschnittliche Molmasse | 181,03 g/mol |
| Monoisotopische Masse | 179,97859 g/mol |
| SMILES | CCOC(=O)C(C)Br |
| InChIKey | ARFLASKVLJTEJD-UHFFFAOYSA-N |
| PubChem CID | 79040 |
| EC No. | 208-609-5 |
| DTXSID | DTXSID90871746 |
| Lokaler Name | Ethyl-2-brompropionat |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 82 |
| Physical Description | Liquid with a sharp pungent odorYellows on light exposure[Merck Index] Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Kovats Retention Index | 90690990793113271340 |
| Schmelzpunkt | <25 °C |
| Siedepunkt | 156-160 °C (lit.) |
| Dichte | 1.394 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.446(lit.) |
| Flammpunkt | 125 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Immiscible |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to very slightly yellow |
| Merck | 14,3772 |
| BRN | 773920 |
| Dielektrizitätskonstante | 9.3000000000000007 |
| Stabilität | Corrosive |
| InChI | 1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3 |
| InChIKey | ARFLASKVLJTEJD-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(C)Br |
| CAS Datenbank | 535-11-5(CAS DataBase Reference) |
| NIST chemische Informationen | Propanoic acid, 2-bromo-, ethyl ester(535-11-5) |
| EPA chemische Informationen | Propanoic acid, 2-bromo-, ethyl ester (535-11-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (69.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]H335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 2-bromo-, ethyl esterStatus: Active Update: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23965Ethyl 2-bromopropionate: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] See Methyl dichloroacetate. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute Tox. 4 (10.6%)Skin Corr. 1B (69.7%)Skin Irrit. 2 (13.6%)STOT SE 3 (12.1%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
| F | 8-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29159080 |
| RTECS-Nr. | UA2451730 |
| R-Sätze (R) | 10-34-36/37/38-20/22 |
| Toxizität | LD50 orally in Rabbit: 281 mg/kg |
| Gefahrensymbole | C,Xn |
| Sicherheitshinweise (S) | 16-26-36/37/39-45-37/39 |
| Gefahrenklasse | 3Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Ethyl 2-Bromopropionate is an intermediate in the synthesis of organic compounds and pharmaceuticals.