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Substance Name: Titanium, tetrachlorotetrakis(eta(sup 5)-2,4-cyclopentadien-1-yl)tetra-mu-oxotetra-
RN: 12171-57-2
InChIKey: IOVQVVIGCGIMMX-UHFFFAOYSA-J

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-Cl4-O4-Ti4

Molecular Weight

  • 657.654
 
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Names and Synonyms

Synonym

  • Tetrachlorotetrakis(eta(sup 5)-2,4-cyclopentadien-1-yl)tetra-mu-oxotetratitanium

Systematic Name

  • Titanium, tetrachlorotetrakis(eta(sup 5)-2,4-cyclopentadien-1-yl)tetra-mu-oxotetra-

Registry Numbers

CAS Registry Number

  • 12171-57-2

System Generated Number

  • 0012171572

Structure Descriptors

InChI

1S/4C5H5.4ClH.4O.4Ti/c4*1-2-4-5-3-1;;;;;;;;;;;;/h4*1-5H;4*1H;;;;;;;;/q4*-1;;;;;4*-2;4*+4/p-4

InChIKey

IOVQVVIGCGIMMX-UHFFFAOYSA-J

Smiles

[Ti+4].[CH-]1C=CC=C1.[ClH-].[OH2-2].[Ti+4].[ClH-].[OH2-2].[CH-]1C=CC=C1.[Ti+4].[ClH-].[OH2-2].[CH-]1C=CC=C1.[Ti+4].[ClH-].[OH2-2].[CH-]1C=CC=C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 480mg/kg (480mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 347, 1984.