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| CAS No.: | 12260-67-2 |
|---|---|
| Name: | CYCLOPENTENYLFERROCENE |
| Molecular Structure: | |
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| Formula: | C15H16Fe |
| Molecular Weight: | 252.13 |
| Synonyms: | Iron,cyclopentadienyl(cyclopentenylcyclopentadienyl)- (6CI);Iron,cyclopentadienyl[(1-cyclopenten-1-yl)cyclopentadienyl]- (7CI);cyclopenta-2,4-dien-1-yl-[2-(cyclopenten-1-yl)cyclopenta-2,4-dien-1-yl]iron;ferrocene, 1-cyclopenten-1-yl-;Cyclopent-1-en-1-ylferrocene;Cyclopentenylferrocene; |
| Melting Point: | 66°C |
| Risk Codes: | 20/21/22 |
| Safety: | 22-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 3.52100 |
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- Total:21 Page 1 of 1 1
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Specification
The Ferrocene,(1-cyclopenten-1-yl)- (8CI,9CI), with the CAS registry number 12260-67-2, has the systematic name of cyclopenta-2,4-dien-1-yl-[2-(cyclopenten-1-yl)cyclopenta-2,4-dien-1-yl]iron. It belongs to the following product categories: Industrial/Fine Chemicals; Classes of Metal Compounds; Fe (Iron) Compounds; Ferrocenes; Metallocenes; Transition Metal Compounds. The molecular formula of the chemical is C15H16Fe.
The characteristics of Ferrocene,(1-cyclopenten-1-yl)- (8CI,9CI) are as followings: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 0Å2.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1CC=C(C1)C2=CC=CC2[Fe]C3C=CC=C3
(2)InChI: InChI=1/C10H11.C5H5.Fe/c1-2-6-9(5-1)10-7-3-4-8-10;1-2-4-5-3-1;/h1-2,5-7H,3-4,8H2;1-5H;/rC15H16Fe/c1-2-7-12(6-1)14-10-5-11-15(14)16-13-8-3-4-9-13/h3-6,8-11,13,15H,1-2,7H2
(3)InChIKey: DSZWLZDKKWLXLH-XXBUXWEYAQ