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N-(trifluoroacetyl)aminoacetic acid
(2,2,2-trifluoroacetyl)glycine · TFA-Gly · TFA-GLY-OH · TFA-GLYCINE · TRIFLUOROACETYL GLYCINE · n-(trifluoroacetyl)glycine · L- trifluoroacetyl glycine · glycine,N-(trifluoroacetyl)-
Identifikatoren & physikalische Daten
| CAS No. | 383-70-0 |
|---|---|
| Summenformel | C4H4F3NO3 |
| Durchschnittliche Molmasse | 171,07 g/mol |
| Monoisotopische Masse | 171,01432748 g/mol |
| SMILES | O=C(O)CNC(=O)C(F)(F)F |
| InChIKey | IFAXXCBMQJNCCF-UHFFFAOYSA-N |
| PubChem CID | 136227 |
| ChEBI | CHEBI:145713 |
| EC No. | 828-193-4 |
| DTXSID | DTXSID30191672 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 176 |
| Schmelzpunkt | 120-121 °C |
| Siedepunkt | 291.6°C |
| Dichte | 1.534 |
| Flammpunkt | 130°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, DMSO |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.99±0.10(Predicted) |
| Farbe | White |
| InChI | InChI=1S/C4H4F3NO3/c5-4(6,7)3(11)8-1-2(9)10/h1H2,(H,8,11)(H,9,10) |
| InChIKey | IFAXXCBMQJNCCF-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CNC(C(F)(F)F)=O |
| CAS Datenbank | 383-70-0 |
| NIST chemische Informationen | N-(Trifluoroacetyl)aminoacetic acid(383-70-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
N-Trifluoroacetylglycine (cas# 383-70-0) is a compound useful in organic synthesis.