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Substance Name: Titanocene dichloride
RN: 1271-19-8
UNII: MJE0547U1U
InChIKey: YMNCCEXICREQQV-UHFFFAOYSA-L

Note

  • Has cytostatic activity.

Molecular Formula

  • C10-H10-Cl2-Ti

Molecular Weight

  • 248.962
 

Classification Codes

  • Antineoplastic Agents
  • Mutation Data
  • Reproductive Effect
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Titanocene dichloride

Synonyms

  • Bis(cyclopentadienyl)dichlorotitanium
  • Bis(eta(sup 5)-cyclopentadienyl)titanium dichloride
  • Bis(eta5-cyclopentadienyl)titanium dichloride
  • Biscyclopentadienyltitanium dichloride
  • Biscyclopentadienyltitanium(iv) dichloride
  • CCRIS 1284
  • Dichlorobis(1,3-cyclopentadiene)titanium
  • Dichlorobis(eta(5)-cyclopentadienyl)titanium
  • Dichlorobis(eta(sup 5)-2,4-cyclopentadien-1-yltitanium)
  • Dichlorobis(eta(sup 5)-cyclopentadienyl)titanium
  • Dichlorobis(eta5-2,4-cyclopentadien-1-yl)titanium
  • Dichlorobis(pi-cyclopentadienyl)titanium
  • Dichlorobiscyclopentadienyl titanium
  • Dichlorodicyclopentadienyltitanium
  • Dichlorotitanocene
  • Dicyclopentadienyldichlorotitanium
  • Dicyclopentadienyltitanium dichloride
  • EINECS 215-035-9
  • HSDB 4340
  • NCI-C04502
  • NSC 78453
  • Titanium ferrocene
  • Titanium, dichlorobis(eta5-2,4-cyclopentadien-1-yl)- (9CI)
  • Titanium, dichlorodi-pi-cyclopentadienyl-
  • Titanocene
  • Titanocene dichloride
  • UNII-MJE0547U1U

Systematic Names

  • Dichlorobis(eta(5)-2,4-cyclopentadien-1-yl)titanium
  • Dichlorobis(eta-cyclopentadienyl)titanium
  • Titanium, dichloro-di-pi-cyclopentadienyl-
  • Titanium, dichlorobis(eta(sup 5)-2,4-cyclopentadien-1-yl- (9CI)
  • Titanium, dichlorobis(eta5-2,4-cyclopentadien-1-yl)-
  • Titanocene dichloride

Superlist Name

  • Titanocene dichloride

Registry Numbers

CAS Registry Number

  • 1271-19-8

FDA UNII

  • MJE0547U1U

Other Registry Number

  • 30311-53-6

System Generated Number

  • 0001271198

Structure Descriptors

InChI

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

InChIKey

YMNCCEXICREQQV-UHFFFAOYSA-L

Smiles

C=1C=C[CH-]C1.C=1C=C[CH-]C1.[Ti+2](Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
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,
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00774,
rat LD50 intraperitoneal 25mg/kg (25mg/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,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 289 deg C   EXP
log P (octanol-water) 4.640 (none)   EST
Atmospheric OH Rate Constant 3.09E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.