97565-89-4

Basic information

• Product Name: N-BUTANE-1,1,2,2,3,3,4,4,4-D9
• Synonyms: N-BUTANE-1,1,2,2,3,3,4,4,4-D9;n-Butane-1,1,2,2,3,3,4,4,4-D9 (gas)
• CAS NO: 97565-89-4
• Molecular Formula: C4HD9
• Molecular Weight: 67.18
• Mol File: 97565-89-4.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: N-BUTANE-1,1,2,2,3,3,4,4,4-D9(CAS DataBase Reference)
• NIST Chemistry Reference: N-BUTANE-1,1,2,2,3,3,4,4,4-D9(97565-89-4)
• EPA Substance Registry System: N-BUTANE-1,1,2,2,3,3,4,4,4-D9(97565-89-4)

Safety Data

• Hazardous Substances Data: 97565-89-4(Hazardous Substances Data)

Upstream product

• 98195-36-9 n-butyl-²H₉ bromide 

Relevant articles and documents

GAS PHASE INFRARED CONTOUR SIMULATION OF ISOLATED C-H STRETCHES IN BUTANE-d9

n-Butane-d9 was synthesized with the hydrogen atom located in one of the methyl groupings.Both C-H stretches of the trans conformer and two of the three C-H stretches of the gauche conformer were assigned to transitions observed in the gas phase infrared spectrum, using the harmonic rigid rotor approximation.The simulation lends support to the more recent literature values of the trans-gauche relative populations.The assignments agree with those obtained by other authors using different techniques, and, when compared to νisCH values in propane, lead to γ substitution effects of methyl which are very small, except perhaps on the op*g (out-of-plane gauche) bond, where steric interaction is likely.