Titanocene dichloride(1271-19-8) MS
Product NameTitanocene dichloride
CAS1271-19-8
Molecular FormulaC10H10Cl2Ti
Molecular Weight248.96
InChIInChI=1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChIKey XKLWATAZDMHTSH-UHFFFAOYSA-L
Smiles[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti](Cl)Cl |^1:0,1,2,3,4,5,6,7,8,9|
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MassMS-NW-2436 titanocene dichloride C10H10Cl2Ti (Mass of molecular ion: 248)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.1 28.0 1.7 36.0 2.1 37.0 1.0 38.0 3.3 39.0 30.6 40.0 2.2 48.0 1.7 62.0 1.6 63.0 4.0 64.0 1.3 65.0 26.7 66.0 4.9 73.0 1.5 81.0 1.3 82.0 1.3 83.0 13.1 84.0 1.6 85.0 6.0 86.0 2.2 87.0 1.1 108.0 1.4 110.0 1.1 112.0 1.6 113.0 1.7 116.0 1.0 117.0 1.0 118.0 10.1 119.0 1.5 120.0 7.4 121.0 3.5 122.0 6.4 123.0 1.9 124.0 2.4 128.0 1.3 146.0 4.7 147.0 6.6 148.0 38.8 149.0 7.2 150.0 15.0 151.0 1.9 152.0 1.1 176.0 2.3 178.0 1.5 181.0 10.1 182.0 10.1 183.0 100.0 184.0 18.3 185.0 67.2 186.0 9.2 187.0 13.8 188.0 1.4 211.0 2.1 212.0 3.7 213.0 11.1 214.0 3.1 215.0 4.0 246.0 2.1 247.0 2.1 248.0 20.1 249.0 4.7 250.0 13.5 251.0 2.5 252.0 2.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H10 Cl2 Ti 0.038 g : 0.5 ml DMSO-d6 titanocene dichloride 
Assign. Shift(ppm)
A 6.673
Hz ppm Int.2671.26 6.684 33 2667.11 6.674 1000
KBr disc
TI(III) COMPLEX IN C6H6/(CH3)C6H5, X-BAND
GRIGNARD REACTION WITH PROPYLENE IN THF
REDUCTION WITH NA AND ALCL3 IN THF
4)
TI(III) COMPLEX IN C6H6/(CH3)C6H5, Q-BAND
TI(III) COMPLEX IN C6H6/(CH3)C6H5, HALF FIELD
