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79269-71-9

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Basic Information
CAS No.: 79269-71-9
Name: BIS(T-BUTYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 79269-71-9 (BIS(T-BUTYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE)
Formula: C18H26 Cl2 Ti
Molecular Weight: 361.19
Synonyms: 1,3-Cyclopentadiene,1-(1,1-dimethylethyl)-, titanium complex; Bis(tert-Butylcyclopentadienyl)titaniumdichloride; Dichlorobis(tert-butylcyclopentadienyl)titanium
Melting Point: 233 ºC(lit.)
Appearance: Bordeaux crystals
Hazard Symbols:
Risk Codes: R36/37/38   
Safety: 37/39-26
PSA: 0.00000
LogP: 6.25460
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Chemistry

Molecular structure of Bis(tert-butylcyclopentadienyl)titanium dichloride (CAS NO.79269-71-9) is:

Product Name: Bis(tert-butylcyclopentadienyl)titanium dichloride
CAS Registry Number: 79269-71-9
Molecular Formula: C18H26Cl2Ti
Molecular Weight: 361.17
Melting Point: 233 °C(lit.)
Sensitive: Air & Light Sensitive 
SMILES: CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.[Cl-].[Cl-].[Ti+2]
InChI: InChI=1/2C9H14.2ClH.Ti/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4,6-7H,5H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey: YLNVMUQQEHXUFO-NUQVWONBAP
Std. InChI: InChI=1S/2C9H14.2ClH.Ti/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4,6-7H,5H2,1-3H3;2*1H;/q;;;;+2/p-2
Std. InChIKey: YLNVMUQQEHXUFO-UHFFFAOYSA-L

Safety Profile

Safty information about Bis(tert-butylcyclopentadienyl)titanium dichloride (CAS NO.79269-71-9) is:
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
TSCA: No

Specification

 Bis(tert-butylcyclopentadienyl)titanium dichloride , its cas register number is 79269-71-9. It also can be called Titanium,dichlorobis[(1,2,3,4,5-h)-1-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]- .It is a bordeaux crystals.