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N-(1,1-Dimethylethyl)formamid
ai3-22415(usda) · n-t-butylformamide · tert-Butylformamide · n-tert-butyl-formamid · N-tert-Butylformamide · n-(tert-butyl)-formamid · N-tert-butylmethanamide · N-FORMYL-TERT-BUTYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 2425-74-3 |
|---|---|
| Summenformel | C5H11NO |
| Durchschnittliche Molmasse | 101,15 g/mol |
| Monoisotopische Masse | 101,08406397 g/mol |
| SMILES | CC(C)(C)NC=O |
| InChIKey | SDLAKRCBYGZJRW-UHFFFAOYSA-N |
| PubChem CID | 17045 |
| EC No. | 219-369-6 |
| DTXSID | DTXSID2062408 |
| Lokaler Name | N-(1,1-Dimethylethyl)formamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 63 |
| Color/Form | Colorless liquid |
| Löslichkeit | Sol in water and common hydrocarbon solvents. |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Dampfdruck | 0.27 [mmHg]0.27 mm Hg @ 25 °C |
| Physical Description | mp = 16 deg C[ChemIDplus] Colorless liquid[HSDB] Colorless liquidmp = 14-17 deg C[Alfa Aesar MSDS] |
| Kovats Retention Index | 915 |
| Other Experimental Properties | High boiling liquid |
| Schmelzpunkt | 16 °C(lit.) |
| Siedepunkt | 202 °C(lit.) |
| Dichte | 0.903 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.433(lit.) |
| Flammpunkt | 203 °F |
| pKa (Säurekonstante) | 16.47±0.23(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| BRN | 1738869 |
| InChI | InChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7) |
| InChIKey | SDLAKRCBYGZJRW-UHFFFAOYSA-N |
| SMILES | C(NC(C)(C)C)=O |
| CAS Datenbank | 2425-74-3(CAS DataBase Reference) |
| EPA chemische Informationen | Formamide, N-(1,1-dimethylethyl)- (2425-74-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not ClassifiedReported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] |
| Toxic Combustion Products | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Hazard Classes and Categories | Not Classified |
| Hazardous Reactivities and Incompatibilities | An equimolar mixture with N-tert-butyl formamide underwent a sudden exotherm after placing in a bath at 60 °C and the tube contents were ejected vigorously as a small cloud. |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Non-Human Toxicity Excerpts | A poison by intravenous route. |
| Non-Human Toxicity Values | LD50 Mouse iv 180 mg/kg |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA1993 |
| Zollcode | 2924.19.1150 |
| RTECS-Nr. | LQ1450000 |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | CBL |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
N-tert-Butylformamide was used to investigate the ability of low molecular weight amides to function as non-aqueous amphiphile self-assembly media.