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Ferrocene, (cyanomethyl)-

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Name

Ferrocene, (cyanomethyl)-

EINECS N/A
CAS No. 1316-91-2 Density N/A
PSA 23.79000 LogP 2.32438
Solubility N/A Melting Point 81-83 °C (lit.)
Formula C12H11FeN Boiling Point N/A
Molecular Weight 225.07 Flash Point N/A
Transport Information UN 3439 Appearance N/A
Safety 26-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 1316-91-2 (Ferrocene, (cyanomethyl)-) Hazard Symbols HarmfulXn
Synonyms

Ferroceneacetonitrile(8CI);Iron, (cyanomethylcyclopentadienyl)cyclopentadienyl- (6CI,7CI);Ferrocenylacetonitrile;Ferrocenylmethyl cyanide;NSC 301053;

 

Ferrocene, (cyanomethyl)- Specification

The Ferrocene, (cyanomethyl)-, with the CAS registry number 1316-91-2, is also known as Ferrocenylacetonitrile. It belongs to the product categories of Catalysis and Inorganic Chemistry; Chemical Synthesis. This chemical's molecular formula is C12H11FeN and molecular weight is 225.07. What's more, its systematic name is 1, 2, 3, 4, 5-Cyclopentanepentayl, 1-(cyanomethyl)-, compd. with 1, 2, 3, 4, 5-cyclopentanepentayl, iron salt (1:1:1). In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

When you are using Ferrocene, (cyanomethyl)-, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)CC#N.[Fe]
(2) InChI: InChI=1/C7H6N.C5H5.Fe/c8-6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H,5H2;1-5H;
(3) InChIKey: UBCZLWARZCERJD-UHFFFAOYAH

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