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Butylferrocene

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Name

Butylferrocene

EINECS 250-862-9
CAS No. 31904-29-7 Density 1.172 g/cm3
PSA 0.00000 LogP 3.60090
Solubility insoluble in water Melting Point 10 - 12oC
Formula C14H18Fe Boiling Point 232 °C(630mmHg)
Molecular Weight 298.251 Flash Point >110 °C
Transport Information N/A Appearance dark orange liquid
Safety 24/25 Risk Codes R22; R36/37/38; R25
Molecular Structure Molecular Structure of 31904-29-7 (Butylferrocene) Hazard Symbols Xn,Xi,T
Synonyms

Iron,(butylcyclopentadienyl)cyclopentadienyl- (6CI,7CI);n-Butylcyclopentadienyl(cyclopentadienyl)iron;n-Butylferrocene;

Article Data 4

Butylferrocene Specification

The Butylferrocene, with the CAS registry number 31904-29-7, has the systematic name of 1,2,3,4,5-cyclopentanepentayl, compd. with 1-butyl-1,2,3,4,5-cyclopentanepentayl, iron salt (1:1:1). For being a kind of dark orange liquid, this is stable and sensitive to air but incompatible with strong oxidizing agents. Besides, it has the product categories which are including Industrial/Fine Chemicals; Ferrocene series; Organometallics; Catalysis and Inorganic Chemistry; Chemical Synthesis. When you are dealing with this chemical, avoid contacting the skin and eyes.

The characteristics of this chemical are as follows: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Density: 1.172; (5)Boiling point: 232 °C (630 mmHg); (6)Refractive index: 1.576-1.579.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:CCCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]
(2)InChI:InChI=1/C9H13.C5H5.Fe/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;/h4-5,7-8H,2-3,6H2,1H3;1-5H;
(3)InChIKey:JHROYCKFRINACS-UHFFFAOYAN

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