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Comparing t he infrared, mass, 1H NMR and 13C NMR spectra of the 4 halogenoalkane isomers of C 4 H 9 Br. NOTE: The images are linked to their original detailed spectral analysis pages AND can be doubled in size with touch screens to increase the definition to the original 1-bromobutane, 2-bromobutane, 1-bromo-2-methylpropane and 2-bromo-2-methylpropane image sizes.
Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. Other names: n-Butyl bromide; Butyl bromide; 1-Bromobutane; n-C4H9Br; UN 1126 Permanent link for this species. Use this link for bookmarking this species for future reference. Information on ...
Characteristic peak wavenumbers in the infrared spectrum of 1-bromobutane. Finger print identification pattern using the infrared spectrum of 1-bromobutane. Revision notes on the infrared spectrum of 1-bromobutane. Matching and deducing the structure of the 1-bromobutane molecule from its infrared spectrum.
The high resolution spectra of 1-bromobutane also shows 4 groups of proton resonances and in the 3:2:2:2 ratio expected from the structural formula of 1-bromobutane, but we can now consider the splitting of resonance lines from the spin-spin coupling in the molecule of 1-bromobutane.
Applications include the study of biomolecule:ligand complexes, free energy calculations, structure-based drug design and refinement of x-ray crystal complexes. Automated Topology Builder (ATB) and Repository
1-Bromobutane MSDS (material safety data sheet) or SDS, CoA and CoQ, dossiers, brochures and other available documents. SDS. CoA. Synonyms: Butyl bromide. CAS #: 109-65-9 EC Number: 203-691-9 Molar Mass: 137.03 g/mol Hill Formula: C₄H₉Br. View Products on Sigmaaldrich.com.
1-Bromo-3-methylbutane's production and use as an organic synthesis reagent may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 34.6 mm Hg at 25 °C indicates 1-bromo-3-methylbutane will exist solely as a vapor in the ambient atmosphere.
