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1272-49-7

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Basic Information
CAS No.: 1272-49-7
Name: BIS(INDENYL)IRON
Molecular Structure:
Molecular Structure of 1272-49-7 (BIS(INDENYL)IRON)
Formula: C18H14Fe
Molecular Weight: 286.15
Synonyms: Iron,di-p-indenyl- (8CI);Iron, diindenyl-(6CI,7CI);Bis(h5-indenyl)iron;Di-h5-indenyliron(II);Dibenzoferrocene;Diindenyliron;
Boiling Point: 172.1 °C at 760 mmHg
Flash Point: 36.9 °C
PSA: 0.00000
LogP: 4.79610
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Specification

The CAS registry number of Iron, bis[(1,2,3,3a,7a-h)-1H-inden-1-yl]- is 1272-49-7. The systematic name is 2,3-dihydro-1H-indene-1,2,3,3a,7a-pentaide; iron. In addition, the molecular formula is C18H14Fe and the molecular weight is 286.15. It is also called diindenyliron. What's more, it should be stored in a cool and dry place.

Physical properties about Iron, bis[(1,2,3,3a,7a-h)-1H-inden-1-yl]- are: (1)ACD/LogP: 3.45; (2)ACD/LogD (pH 5.5): 3.45; (3)ACD/LogD (pH 7.4): 3.45; (4)ACD/BCF (pH 5.5): 248.11; (5)ACD/BCF (pH 7.4): 248.11; (6)ACD/KOC (pH 5.5): 1801.77; (7)ACD/KOC (pH 7.4): 1801.77; (8)Flash Point: 36.9 °C; (9)Enthalpy of Vaporization: 39.17 kJ/mol; (10)Boiling Point: 172.1 °C at 760 mmHg; (11)Vapour Pressure: 1.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Fe].C=2[C-]1[CH-][CH-][CH-][C-]1\C=C/C=2.C=2[C-]1[CH-][CH-][CH-][C-]1\C=C/C=2
(2)InChI: InChI=1/2C9H7.Fe/c2*1-2-5-9-7-3-6-8(9)4-1;/h2*1-7H;/q2*-5;
(3)InChIKey: KDSCQOGQDVUMRR-UHFFFAOYAS