Cas no 12153-89-8 (Ferrocene,(methoxymethyl)- (8CI,9CI))
12153-89-8 structure
Product Name:Ferrocene,(methoxymethyl)- (8CI,9CI)
CAS No:12153-89-8
MF:C12H14FeO
MW:230.083964824677
CID:228810
Update Time:2024-01-26
Ferrocene,(methoxymethyl)- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
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- Ferrocene,(methoxymethyl)- (8CI,9CI)
- (Methoxymethyl)ferrocene
- iron(2+) cyclopenta-2,4-dienide 2-(methoxymethyl)cyclopenta-2,4-dienide (1:1:1)
- Einecs 235-273-7
-
- Inchi： 1S/C7H9O.C5H5.Fe/c1-8-6-7-4-2-3-5-7;1-2-4-5-3-1;/h2-5H,6H2,1H3;1-5H;/q2*-1;+2
- InChI Key： LPPAQEHQUNTQNJ-UHFFFAOYSA-N
- SMILES： [Fe+2].O(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])[C-]1[H].[C-]1([H])C([H])=C([H])C([H])=C1[H]
Computed Properties
- Exact Mass: 226.02846
- Monoisotopic Mass: 230.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 113
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 9.2A^2
Experimental Properties
- Melting Point: 70-71 °C
- Boiling Point: 132°C at 760 mmHg
- Flash Point: 19.6°C
- PSA: 9.23
Ferrocene,(methoxymethyl)- (8CI,9CI) Related Literature
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Petr ?těpni?ka,Ivana Císa?ová Dalton Trans. 2013 42 3373
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N. D'Antona,R. Morrone,G. Gambera,S. Pedotti Org. Biomol. Chem. 2016 14 4393
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Philip J. Skinner,Stephanie Blair,Ritu Kataky,David Parker New J. Chem. 2000 24 265
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4. Efficient regio- and diastereo-controlled synthesis of 1,1′- and 1,1′,2,2′-functionalised ferrocenes and the formation of 2-oxa[3]ferrocenophanesMichael A. Carroll,Andrew J. P. White,David A. Widdowson,David J. Williams J. Chem. Soc. Perkin Trans. 1 2000 1551
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D. W. Slocum,B. P. Koonsvitsky J. Chem. Soc. D 1969 846
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