tert-Butylferrocene
CAS #: 1316-98-9
Product Code : EFe-A931-CU-CU
CAS #: 1316-98-9
Linear Formula: Fe(C5H5)(C5H4C(CH3)3)
MDL Number: MFCD00058729
EC No.: N/A
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Synonyms
ferrocene, (1, 1-dimethylethyl)-, 1, 2, 3, 4, 5-Cyclopentanepentayl, compd. with 1-(1, 1-dimethylethyl)-1, 2, 3, 4, 5-cyclopentanepentayl, iron salt (1:1:1)
Compound Formula: C14H18Fe
Molecular Weight: 242.14
Appearance: Dark amber liquid
Melting Point: N/A
Boiling Point: 96 °C
Density: 1.201 g/mL
Solubility in H2O: N/A
Exact Mass: 242.075788
Monoisotopic Mass: 242.075788
Health & Safety Information
Signal Word: N/A
Hazard Statements: N/A
Hazard Codes: N/A
Risk Codes: N/A
Safety Statements: N/A
Transport Information: N/A
Chemical Identifiers
Linear Formula: Fe(C5H5)(C5H4C(CH3)3)
Pubchem CID: 15818167
MDL Number: MFCD00058729
EC No.: N/A
IUPAC Name: 5-tert-butylcyclopenta-1,3-diene; cyclopenta-1,3-diene; iron(2+)
SMILES: CC(C)(C)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
InchI Identifier: 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;/q2*-1;+2
InchI Key: MZRCQWCFZQOVDZ-UHFFFAOYSA-N