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Substance Name: 1-Acetylferrocene
RN: 1271-55-2
InChIKey: SPKJCVZOZISLEI-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-Fe-O

Molecular Weight

  • 228.071
 
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Names and Synonyms

Name of Substance

  • 1-Acetylferrocene

Synonyms

  • 1-Acetylferrocene
  • Acetoferrocene
  • Acetylferrocene
  • EINECS 215-043-2
  • Ethanone, 1-ferrocenyl-
  • Ferrocene, acetyl-
  • Ferrocenyl methyl ketone
  • Iron, (acetylcyclopentadienyl)cyclopentadienyl-
  • Monacetylferrocene
  • Monoacetylferrocene
  • NSC 115511

Systematic Names

  • Acetylferrocene
  • Ferrocene, acetyl-
  • Ketone, ferrocenyl methyl

Registry Numbers

CAS Registry Number

  • 1271-55-2

System Generated Number

  • 0001271552

Structure Descriptors

InChI

1S/C7H7O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2

InChIKey

SPKJCVZOZISLEI-UHFFFAOYSA-N

Smiles

C=1C=C[C-](C1)C(=O)C.C=1C=C[CH-]C1.[Fe+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC inhalation > 50mg/m3 (50mg/m3)   "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 170, 1999.
mammal (species unspecified) LD50 skin 23300ug/kg (23.3mg/kg)   "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 170, 1999.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0570920,
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08812,
mouse LD50 oral 50mg/kg (50mg/kg) BEHAVIORAL: TREMOR

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0570920,
rabbit LDLo ocular 30mg/kg (30mg/kg)   Toxicology Letters. Vol. 38, Pg. 103, 1987.
rat LD50 oral 25mg/kg (25mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION
National Technical Information Service. Vol. OTS0570920,
rat LDLo intraperitoneal 25mg/kg (25mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0570920,
rat LDLo skin 500mg/kg (500mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1285-0578,