HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl 3-amino-4,4,4-trifluoro-2-butenoate
Ethyl 3-amino-4,4,4-trifluorocrotote · Ethyl 3-amino-4 · trifluorocrotonate · 4-trifluorocrotonate · ETHYL 3-AMINO-4,4,4-TRIFLUOROCROTONATE · ethyl 3-amino-4,4,4-trifluro crotonate · 3-Amino-4,4,4-trifluorobutenoate ethyl · Ethyl3-amino-4,4,4-trifluorocrotonate97%
Identifikatoren & physikalische Daten
| CAS No. | 372-29-2 |
|---|---|
| Summenformel | C6H8F3NO2 |
| Durchschnittliche Molmasse | 183,13 g/mol |
| Monoisotopische Masse | 183,05071316 g/mol |
| SMILES | CCOC(=O)C=C(N)C(F)(F)F |
| InChIKey | NXVKRKUGIINGHD-UHFFFAOYSA-N |
| PubChem CID | 136209 |
| EC No. | 609-360-9 |
| DTXSID | DTXSID001270040 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 197 |
| Physical Description | Liquid |
| Schmelzpunkt | 26°C |
| Siedepunkt | 83 °C15 mm Hg(lit.) |
| Dichte | 1.245 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.424(lit.) |
| Flammpunkt | 149 °F |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Colourless to Pale Yellow Low-Melting to Semi-Solid |
| pKa (Säurekonstante) | 0.76±0.70(Predicted) |
| Farbe | White or Colorless to Light yellow |
| BRN | 4397839 |
| InChI | 1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3 |
| InChIKey | NXVKRKUGIINGHD-ONEGZZNKSA-N |
| SMILES | CCOC(=O)C=C(N)C(F)(F)F |
| CAS Datenbank | 372-29-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.7% (1 of 59) of reports.DangerH302 (88.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 59 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (88.1%)Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3259 |
| Zollcode | 29224999 |
| R-Sätze (R) | 20/21/22-36/37 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 26-36-36/37 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 OralEye Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Ethyl 3-amino-4,4,4-trifluorocrotonate is used as building block in chemical synthesis. Attributes Development Product Contact