HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Nitro-tert-butan
(CH3)3CNO2 · 2-Nitroisobutane · TERT-NITROBUTANE · nitrotert-butane · Nitro-tert.-butan · t-Nitrobutane (t-NB) · Trimethylnitromethane · tert-Nitrobutane,98+%
Identifikatoren & physikalische Daten
| CAS No. | 594-70-7 |
|---|---|
| Summenformel | C4H9NO2 |
| Durchschnittliche Molmasse | 103,12 g/mol |
| Monoisotopische Masse | 103,06332853 g/mol |
| SMILES | CC(C)(C)[N+](=O)[O-] |
| InChIKey | AIMREYQYBFBEGQ-UHFFFAOYSA-N |
| PubChem CID | 11672 |
| EC No. | 209-851-4 |
| DTXSID | DTXSID0060488 |
| Lokaler Name | Nitro-tert-butan |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 76,7 |
| Stoffklassen | Nitrogen Compounds -> Nitros, Aliphatic |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 1.01 |
| Physical Description | Melting point = 26.23 deg C[ChemIDplus] Colorless liquid[Acros Organics MSDS] Colorless low melting solidmp = 27-31 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 24 °C |
| Siedepunkt | 126-127 °C (lit.) |
| Dichte | 0.95 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.4(lit.) |
| Flammpunkt | 67 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Crystalline Powder, Crystals, or Flakes |
| Farbe | White |
| Löslichkeit | Insoluble |
| BRN | 1744184 |
| Dielektrizitätskonstante | 23.68 |
| InChI | 1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3 |
| InChIKey | AIMREYQYBFBEGQ-UHFFFAOYSA-N |
| SMILES | CC(C)(C)[N+]([O-])=O |
| NIST chemische Informationen | Propane, 2-methyl-2-nitro-(594-70-7) |
| EPA chemische Informationen | Propane, 2-methyl-2-nitro- (594-70-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (86.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation, CNS depression, and cardiac disturbances[Acros Organics MSDS] An irritant[Alfa Aesar MSDS] See 2-Nitropropane, a primary hepatotoxin. |
| Hazard Classes and Categories | Flam. Liq. 2 (86.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39-37/39 |
| Gefahrenklasse | 4.1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Methyl-2-nitropropane is a useful reagent in the preparation of various other chemical compounds including amines, alkynylnitrones, amides and nitriles.