151963

Nitromethan-d₃

99 atom % D

• Synonym(e): Deuteriertes Nitromethan
• Lineare Formel: CD₃NO₂
• CAS-Nummer: 13031-32-8
• Molekulargewicht: 64.06
• Beilstein: 1751076
• EG-Nummer: 235-892-2
• MDL-Nummer: MFCD00044214
• UNSPSC-Code: 12142201
• PubChem Substanz-ID: 24849185
• NACRES: NA.21

Eigenschaften

• Isotopenreinheit: 99 atom % D
• Qualitätsniveau: 100
• Assay: 99% (CP)
• Form: liquid
• Expl.-Gr.: 7.1-63 % (lit.)
• Methode(n): NMR: suitable
• Verunreinigungen: ≤0.1000% water; water
• Brechungsindex: n20/D 1.3795 (lit.)
• bp: 100 °C (lit.)
• mp (Schmelzpunkt): -29 °C (lit.)
• Dichte: 1.183 g/mL at 25 °C (lit.)
• Massenverschiebung: M+3
• SMILES String: [2H]C([2H])([2H])[N+]([O-])=O
• InChI: 1S/CH3NO2/c1-2(3)4/h1H3/i1D3
• InChIKey: LYGJENNIWJXYER-FIBGUPNXSA-N

Beschreibung

Allgemeine Beschreibung

Nitromethane-d₃ is a deuterated derivative of nitromethane. Its pyrolytic decomposition in the absence and presence of nitrogen dioxide have been studied. Molecular structure studies suggest that its molecule is composed of a highly asymetrical top consisting of a heavy planar frame of NO₂ (C_2v symmetry) and a lighter top of CD₃ (C_3v symmetry). Rotational constants, high-resolution Fourier transform infrared (FTIR) spectrum and DFT (Density Functional Theory) calculations of nitromethane-d₃ have been evaluated. Various physicochemical properties (densities, viscosities, speed of sound and refractive indices) of CD₃NO₂ have been evaluated in the temperature range of 293K to 308K.

Anwendung

• Asymmetric transformation of a double-stranded, dicopper(I) helicate containing achiral bis(bidentate) Schiff bases.: This study used Nitromethane-d₃ to investigate the asymmetric transformation in dicopper(I) helicates, providing insights into chiral synthesis and coordination chemistry applications (Habermehl et al., 2006).


• Reversing a rotaxane recognition motif: threading oligoethylene glycol derivatives through a dicationic cyclophane.: The research employed Nitromethane-d₃ in the synthesis and study of rotaxanes, focusing on molecular recognition and self-assembly processes important for developing advanced materials and nanotechnology (Chiu and Stoddart, 2002).

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Sicherheitshinweise

• Piktogramme: GHS02,GHS08,GHS07
• Signalwort: Warning
• H-Sätze: H226,H302 + H332,H351,H361d
• P-Sätze: P202 - P210 - P233 - P301 + P312 - P304 + P340 + P312 - P308 + P313
• Gefahreneinstufungen: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Flam. Liq. 3 - Repr. 2
• Lagerklassenschlüssel: 4.1A - Other explosive hazardous materials
• WGK: WGK 2
• Flammpunkt (°F): 95.0 °F - closed cup
• Flammpunkt (°C): 35 °C - closed cup