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Substance Name: Nickelocene
RN: 1271-28-9
UNII: JR8F745XV5
InChIKey: KZPXREABEBSAQM-UHFFFAOYSA-N

Molecular Formula

  • C10-H10-Ni

Molecular Weight

  • 188.882
 

Classification Codes

Classification Code

  • Tumor Data

Superlist Classification Code

  • Reasonably Anticipated to be a Carcinogen
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Names and Synonyms

Name of Substance

  • Nickelocene

Synonyms

  • CCRIS 430
  • Di-pi-cyclopentadienylnickel
  • EINECS 215-039-0
  • Nickel biscyclopentadiene
  • Nickelocene
  • Nikelocen
  • Nikelocen [Czech]
  • pi-Cyclopentadienyl compd. with nickel
  • UNII-JR8F745XV5

Systematic Names

  • Bis(eta5-2,4-cyclopentadien-1-yl)nickel
  • Nickel, compd with pi-cyclopentadienyl (1:2)
  • Nickelocene

Superlist Names

  • Nickelocene
  • Nickelocene [Nickel and nickel compounds]

Registry Numbers

CAS Registry Number

  • 1271-28-9

FDA UNII

  • JR8F745XV5

Other Registry Numbers

  • 1080518-91-7
  • 51269-44-4

System Generated Number

  • 0001271289

Structure Descriptors

InChI

1S/2C5H5.Ni/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2

InChIKey

KZPXREABEBSAQM-UHFFFAOYSA-N

Smiles

[cH-]1cccc1.[cH-]1cccc1.[Ni+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 86mg/kg (86mg/kg)   Proceedings of the Western Pharmacology Society. Vol. 11, Pg. 39, 1968.
mouse LD50 oral 600mg/kg (600mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Proceedings of the Western Pharmacology Society. Vol. 11, Pg. 39, 1968.
rat LD50 intramuscular 82mg/kg (82mg/kg)   Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. Vol. PH43-64-886,
rat LD50 intraperitoneal 50mg/kg (50mg/kg)   Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. Vol. PH43-64-886,
rat LD50 oral 490mg/kg (490mg/kg)   Proceedings of the Western Pharmacology Society. Vol. 11, Pg. 39, 1968.