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Substance Name: Iron, (1,3-butadiene)tricarbonyl-
RN: 12078-32-9
InChIKey: YKZYNZUXJMHMKZ-UHFFFAOYSA-N

Classification Code

  • Organometallic

Molecular Formula

  • C7-H6-Fe-O3

Molecular Weight

  • 189.935
 
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Names and Synonyms

Synonyms

  • (1,3-Butadiene)tricarbonyl iron
  • 1,3-Butadiene iron tricarbonyl
  • Butadiene iron tricarbonyl
  • Butadiene tricarbonyl iron
  • EINECS 235-140-3
  • Iron, (eta4-1,3-butadiene)tricarbonyl-, stereoisomer
  • NSC 58462
  • Tricarbonyl(1,3-butadiene)iron
  • Tricarbonylbutadiene iron

Systematic Names

  • (eta-1,3-Butadiene)tricarbonyliron
  • Iron, (1,3-butadiene)tricarbonyl-
  • Iron, (eta4-1,3-butadiene)tricarbonyl- (9CI)

Registry Numbers

CAS Registry Number

  • 12078-32-9

System Generated Number

  • 0012078329

Structure Descriptors

InChI

1S/C4H2.3CO.Fe/c1-3-4-2;3*1-2;/h1-2H;;;;

InChIKey

YKZYNZUXJMHMKZ-UHFFFAOYSA-N

Smiles

[C]([CH])[C][CH].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Fe]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04756,