CAS No.1316-98-9,tert-Butylferrocene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1316-98-9
Name:	tert-Butylferrocene

Formula:	C₁₄H₁₈Fe
Molecular Weight:	242.14
Synonyms:	Ferrocene,tert-butyl- (8CI);Iron, (tert-butylcyclopentadienyl)cyclopentadienyl-(6CI,7CI);NSC 151953;
Density:	1.201 g/cm³
Boiling Point:	96 °C (1 mmHg)
Flash Point:	>110 °C
Solubility:	Not miscible or difficult to mix in water.
PSA:	0.00000
LogP:	3.45680

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Specification

The Ferrocene,(1,1-dimethylethyl)-, with CAS registry number 1316-98-9, belongs to the following product categories: (1)Ferrocene series; (2)Classes of Metal Compounds; (3)Fe (Iron) Compounds; (4)Ferrocenes; (5)Metallocenes; (6)Transition Metal Compounds; (7)Catalysis and Inorganic Chemistry; (8)Chemical Synthesis. It has the systematic name of (2-tert-butylcyclopenta-2,4-dien-1-yl)-cyclopenta-2,4-dien-1-yl-iron. And the chemical formula of this chemical is C₁₄H₁₈Fe.

Physical properties of Ferrocene,(1,1-dimethylethyl)-: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 0 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)C1=CC=CC1[Fe]C2C=CC=C2
(2)InChI: InChI=1/C9H13.C5H5.Fe/c1-9(2,3)8-6-4-5-7-8;1-2-4-5-3-1;/h4-7H,1-3H3;1-5H;/rC14H18Fe/c1-14(2,3)12-9-6-10-13(12)15-11-7-4-5-8-11/h4-11,13H,1-3H3
(3)InChIKey: DOUYOVFHQKVSSJ-AXBJBEGVAA
(4)Std. InChI: InChI=1S/C9H13.C5H5.Fe/c1-9(2,3)8-6-4-5-7-8;1-2-4-5-3-1;/h4-7H,1-3H3;1-5H
(5)Std. InChIKey: DOUYOVFHQKVSSJ-UHFFFAOYSA-N