1-Bromo-2-ethylhexane-d17

• CAT Number: R061105
• CAS Number: 1398065-97-8
• Molecular Formula: C8H17Br
• Molecular Weight: 210.232
• Purity: ≥95%
• Synonyms: 2-Ethyl-1-hexyl-d17 bromide; 2-Ethylhexyl-d17 bromide; 3-(Bromomethyl)heptane-d17
• Storage: -20°C
• IUPAC Name: 3-[bromo(dideuterio)methyl]-1,1,1,2,2,3,4,4,5,5,6,6,7,7,7-pentadecadeuterioheptane
• InChI: InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D
• InChIKey: NZWIYPLSXWYKLH-MMDJZGHJSA-N
• SMILES: CCCCC(CC)CBr

1-Bromo-2-ethylhexane-d17 is a deuterium-labeled version of 1-bromo-2-ethylhexane, an alkyl halide used in organic synthesis and chemical research. The deuterium labeling at 17 positions enhances its application in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy by providing precise insights into reaction mechanisms, chemical behavior, and molecular structure. This labeled compound is valuable for studying substitution reactions, tracking intermediates, and understanding the reactivity of alkyl bromides. It is also used in calibration and validation of analytical methods, contributing to accurate and reliable chemical analysis and synthesis.