Titanocene dichloride

Titanocene dichloride
Names
	IUPAC name Dichloridobis(η5-cyclopentadienyl)titanium
	Other names titanocene dichloride, dichlorobis(cyclopentadienyl)titanium(IV)
Identifiers
CAS Number	1271-19-8 ;
3D model (JSmol)	Interactive image;
ChemSpider	34981141 ;
ECHA InfoCard	100.013.669
EC Number	215-035-9;
PubChem CID	5284468;
RTECS number	XR2050000;
UNII	MJE0547U1U ;
UN number	3261
CompTox Dashboard (EPA)	DTXSID3021354 ;
	InChI InChI=1S/2C5H5.2ClH.Ti/c21-2-4-5-3-1;;;/h21-5H;21H;/q2-1;;;+4/p-2 Key: YMNCCEXICREQQV-UHFFFAOYSA-L ; InChI=1/2C5H5.2ClH.Ti/c21-2-4-5-3-1;;;/h21-5H;21H;/q2-1;;;+4/p-2/r2C5H5.Cl2Ti/c21-2-4-5-3-1;1-3-2/h21-5H;/q2*-1;+2 Key: YMNCCEXICREQQV-JUFMQDBHAK;
	SMILES [cH-]1cccc1.[cH-]1cccc1.Cl[Ti+2]Cl;
Properties
Chemical formula	C10H10Cl2Ti
Molar mass	248.96 g/mol
Appearance	bright red solid
Density	1.60 g/cm3, solid
Melting point	289 °C (552 °F; 562 K)
Solubility in water	sl. sol. with hydrolysis
Structure
Crystal structure	Triclinic
Coordination geometry	Dist. tetrahedral
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H335
Precautionary statements	P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
NFPA 704 (fire diamond)	2 1
Related compounds
Related compounds	Ferrocene; Zirconocene dichloride; Hafnocene dichloride; Vanadocene dichloride; Niobocene dichloride; Tantalocene dichloride; Molybdocene dichloride; Tungstenocene dichloride; TiCl4
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Titanocene dichloride is the organotitanium compound with the formula (η⁵-C₅H₅)₂TiCl₂, commonly abbreviated as Cp₂TiCl₂. This metallocene is a common reagent in organometallic and organic synthesis. It exists as a bright red solid that slowly hydrolyzes in air.^[2] It shows antitumour activity and was the first non-platinum complex to undergo clinical trials as a chemotherapy drug.^[3]

^ "Summary of Classification and Labelling". Retrieved 5 December 2021.
^ Budaver, S., ed. (1989). The Merck Index (11th ed.). Merck & Co., Inc.
^ Cite error: The named reference anti-cancer was invoked but never defined (see the help page).

[1] "Summary of Classification and Labelling". Retrieved 5 December 2021.

[2] Budaver, S., ed. (1989). The Merck Index (11th ed.). Merck & Co., Inc.

[anti-cancer-3] Cite error: The named reference anti-cancer was invoked but never defined (see the help page).

[1]

[2]

[3]

Names



IUPAC name Dichloridobis(η⁵-cyclopentadienyl)titanium
Other names titanocene dichloride, dichlorobis(cyclopentadienyl)titanium(IV)
Identifiers
CAS Number	1271-19-8^Y
3D model (JSmol)	Interactive image
ChemSpider	34981141^Y
ECHA InfoCard	100.013.669
EC Number	215-035-9
PubChem CID	5284468
RTECS number	XR2050000
UNII	MJE0547U1U^Y
UN number	3261
CompTox Dashboard (EPA)	DTXSID3021354
InChI InChI=1S/2C5H5.2ClH.Ti/c21-2-4-5-3-1;;;/h21-5H;21H;/q2-1;;;+4/p-2^N Key: YMNCCEXICREQQV-UHFFFAOYSA-L^N InChI=1/2C5H5.2ClH.Ti/c21-2-4-5-3-1;;;/h21-5H;21H;/q2-1;;;+4/p-2/r2C5H5.Cl2Ti/c21-2-4-5-3-1;1-3-2/h21-5H;/q2*-1;+2 Key: YMNCCEXICREQQV-JUFMQDBHAK
SMILES [cH-]1cccc1.[cH-]1cccc1.Cl[Ti+2]Cl
Properties
Chemical formula	C₁₀H₁₀Cl₂Ti
Molar mass	248.96 g/mol
Appearance	bright red solid
Density	1.60 g/cm³, solid
Melting point	289 °C (552 °F; 562 K)
Solubility in water	sl. sol. with hydrolysis
Structure
Crystal structure	Triclinic
Coordination geometry	Dist. tetrahedral
Hazards^[1]
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H335
Precautionary statements	P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
NFPA 704 (fire diamond)	2 1
Related compounds
Related compounds	Ferrocene Zirconocene dichloride Hafnocene dichloride Vanadocene dichloride Niobocene dichloride Tantalocene dichloride Molybdocene dichloride Tungstenocene dichloride TiCl₄
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references