2031-90-5 Usage
Description
N-PENTANE-D12, also known as Pentane-d12, is a deuterated form of pentane that is primarily used as a solvent in Nuclear Magnetic Resonance (NMR) spectroscopy. It is a non-reactive, volatile liquid with 12 deuterium atoms, which makes it an ideal choice for various NMR-based research and analyses. The deuterium atoms in N-PENTANE-D12 provide a unique environment for studying molecular structures and interactions without interference from the solvent itself.
Uses
Used in Chemical Research:
N-PENTANE-D12 is used as a solvent in chemical research for its non-reactive and volatile properties. It allows chemists to study the structure and dynamics of molecules without the risk of unwanted reactions or interference from the solvent.
Used in NMR Spectroscopy:
N-PENTANE-D12 is used as a deuterated NMR solvent for its ability to provide a clean and non-interfering environment for NMR experiments. The presence of deuterium atoms in the solvent helps to eliminate background signals, allowing for clearer and more accurate spectral analysis.
Used in Pharmaceutical Industry:
N-PENTANE-D12 is used as a solvent in the pharmaceutical industry for the synthesis and analysis of drug compounds. Its non-reactive nature ensures that the drug molecules remain intact during the synthesis process, while its volatility allows for easy removal after the reaction is complete.
Used in Environmental Research:
N-PENTANE-D12 is used as a solvent in environmental research for the analysis of pollutants and contaminants in water and soil samples. Its non-reactive properties make it suitable for studying the behavior and fate of various environmental pollutants without altering their chemical structures.
Used in Material Science:
N-PENTANE-D12 is used as a solvent in material science for the study of polymers and other materials. Its ability to dissolve a wide range of substances makes it an ideal choice for investigating the structure and properties of various materials at the molecular level.
Check Digit Verification of cas no
The CAS Registry Mumber 2031-90-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,0,3 and 1 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 2031-90:
(6*2)+(5*0)+(4*3)+(3*1)+(2*9)+(1*0)=45
45 % 10 = 5
So 2031-90-5 is a valid CAS Registry Number.
InChI:InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3/i1D3,2D3,3D2,4D2,5D2
2031-90-5Relevant articles and documents
Ionization of Normal Alkanes: Enthalpy, Entropy, Structural, and Isotope Effects
Meot-Ner (Mautner), M.,Sieck, L.W.,Ausloos, P.
, p. 5342 - 5348 (2007/10/02)
Enthalpies and entropies of ionization (ΔHi0, ΔSi0) of C4 to C11 normal alkanes were determined from charge-transfer equilibrium measurement between 300 and 420 K by using photoionization high-pressure mass spectrometry.Large negative ΔSi0 values are observed in C7 and larger n-alkanes, from -4.7 cal mol-1 K-1 (-19.6 J mol-1 K-1) in heptane to -13.9 cal mol-1 K-1 (-58.1 J mol-1 K-1) in undecane; in contrast, ΔSi0 of C4-C7 n-alkanes is negligible. ΔHi0 values range from 10.35 eV (997.6 kJ mol-1) (butane) to 9.45 eV (910.9 kJ mol-1) (undecane); the incremental ΔHi0 values also suggest the occurence of an effect that stabilizes C7 and higher but not the lower molecular ions.Analogy with disubstituted alkanes suggests that the negative ΔSi0 values and excess stabilization in C7 and higher alkane ions are due to constrained cyclic conformations which result from noncovalent intramolecular bonding between the terminal -C2H5 groups in the large, flexible molecular ions.These effects are more pronounced in n-alkanes than in 2-methylalkanes.Isotope effects on ΔHi0 as measured by the equilibrium constant K290 for n-CmD2m+2+ + n-CmH2m+2 ->/+ + n-CmD2m+2 are significant for ethane (k291 = 4.5) but decrease with increasing m: in propane K290 = 3.2 and in hexane and octane K291 = 1.0.However, the isotope effects in cyclic alkanes are much larger than in corresponding normal alkanes: in cyclohexane, K321 = 3.3 compared with that in n-hexane, were K320 = 1.0.
