Ethynylferrocene supplier | CasNO.1271-47-2

Name
ETHYNYLFERROCENE
EINECS
CAS No. 1271-47-2
Article Data44
CAS DataBase
Density
Solubility insoluble in water
Melting Point 50-57 °C
Formula C₁₂H₁₀Fe
Boiling Point 102.5°C at 760 mmHg
Molecular Weight 210.058
Flash Point 0.5°C
Transport Information
Appearance red-brown crystals or crystalline powder
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Iron,cyclopentadienyl(ethynylcyclopentadienyl)- (7CI);Ethynylferrocene;Ferrocenylacetylene;Ferrocenylethyne;
PSA 0.00000
LogP 2.04390

Ethynylferrocene Specification

The systematic name of Ethynylferrocene is 1-cyclopenta-2,4-dienyl-(2-ethynyl-1-cyclopenta-2,4-dienyl)iron. With the CAS registry number 1271-47-2, it is also named as Ferrocene, ethynyl-(8CI,9CI). The product's categories are miscellaneous, alphabetic, catalysis and inorganic chemistry, E, EQ - EZchemical synthesis. Moreover, its molecular formula is C₁₂H₁₀Fe and its molecular weight is 210.05. In addition, this chemical is red-brown crystals or crystalline powder, which should be stored in refrigerator at temperature of 4 °C.

The other characteristics of Ethynylferrocene can be summarized as: (1)H bond acceptors: 0; (2)H bond donors: 0; (3)Freely Rotating Bonds: 2; (4)Melting point: 50-54 °C; (5)Solubility: insoluble in water; (6)Topological molecular polar surface area: 197; (7)Heavy atoms: 47; (8)Complexity: 1040.

When you are using this chemical, please be cautious about it as the following: Ethynylferrocene is irritating to eyes, respiratory system and skin. Please wear suitable gloves and eye/face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:C#C\C2=C\C=C/C2[Fe]C/1/C=C\C=C\1
(2)InChI:InChI=1/C7H5.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/rC12H10Fe/c1-2-10-6-5-9-12(10)13-11-7-3-4-8-11/h1,3-9,11-12H
(3)InChIKey:HFWSJSDVVFIFRS-ZKUDQBJKAW
(4)Std. InChI:InChI=1S/C7H5.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;
(5)Std. InChIKey:HFWSJSDVVFIFRS-UHFFFAOYSA-N

Product Name

ETHYNYLFERROCENE

Ethynylferrocene Specification

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