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Detail of "2046-18-6"

  • CAS Number:
  • 2046-18-6
  • Name:
  • Benzenebutanenitrile

  • Molecular Structure:
  • Formula:
  • C10H11N
  • Molecular Weight:
  • 145.2
  • Synonyms:
  • Butyronitrile,4-phenyl- (6CI,7CI,8CI);(3-Cyanopropyl)benzene;1-Cyano-3-phenylpropane;4-Phenylbutanenitrile;4-Phenylbutyronitrile;NSC 1853;g-Phenylpropyl cyanide;
  • EINECS:
  • 218-068-7
  • Density:
  • 0.976 g/cm3
  • Boiling Point:
  • 272.1 °C at 760 mmHg
  • Flash Point:
  • 131.7 °C
  • Solubility:
  • soluble in Ethanol, aether,benzene
  • Hazard Symbols:
  • HarmfulXn
  • Risk Codes:
  • 20/21/22-36/37/38
  • Safety:
  • 37/39 Details

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CAS No.2046-18-6 Benzenebutanenitrile

4-PHENYLBUTYRONITRILE

Supplier:Narchem Corporation [ United States]

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Reference

Fragmentation of ion-molecule adducts of transition metal ions with aromatic ring-containing nitriles in the gas phase
Fragmentation of ion-molecule adducts of transition metal ions with aromatic ring-containing nitriles in the gas phase. Chen, Lin Zhi; Miller, Jack M. (Dep.In this study, 14903-34-5 and 2046-18-6 are also used. Chem., Brock Univ., St. Catharines, ON L2S 3A1, Can.). Org. Mass Spectrom., 27(1), 19-26 (English) 1992. CODEN: ORMSBG. ISSN: 0030-493X. DOCUMENT TYPE: Journal CA Section: 29 (Organometallic and Organometalloidal Compounds) Section cross-reference(s): 22 Gas-phase ion-mol. reactions of transition metal ions, M+ (M+ = Ni+, Co+, Fe+, Mn+), with six arom. ring-contg. nitriles were investigated in a modified fast atom bombardment (FAB) source. It is shown that the monoadduct, (Ph(CH2)nCN)-M+, is one of the most abundant ion-mol. reaction products. The main fragments in the FAB source are the [C7H7]+ and [C8H9]+ ions, and their formation is shown to involve metal ion insertion into the nitriles rather than direct bond cleavage from the free or complexed nitriles after FAB ionization. An intramol. oxidn.-redn. reaction, giving [C7H7]+, is found in the metastable and collisionally induced dissocns. of benzyl nitrile adducts accompanied by neutral MCN formation, but not seen for longer chain samples. An ortho effect is obsd. in the elimination of HCN from the 2-methylbenzyl nitrile adduct ions. This reaction dominates the metastable ion spectrum of the adduct of Mn+, whereas metal detachment is nearly the major process for the other complexes of Mn+. The different bond-insertion selectivities of the metal ions are also shown. .
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