Iron(2+);1-methylcyclopenta-1,3-diene
Basic information
- CAS
1291-47-0- Standard SMILES
Cc1cc[cH-]c1.Cc1cc[cH-]c1.[Fe+2]- InChIKey
YTOVAWUSMUMHIM-UHFFFAOYSA-N- Molecular formula
- C12H14Fe
- Average molar mass
- 214.08 g/mol
- Monoisotopic mass
- 214.044486
Names & identifiers
- Preferred name
- Iron(2+);1-methylcyclopenta-1,3-diene
- IUPAC
- iron(2+);bis(2-methylcyclopenta-1,3-diene)
- English name
- 1,1'-Dimethylferrocene
- Molecular formula
- C12H14Fe10*
- Molecular weight
- 214.08
Names & synonyms
iron(2+);1-methylcyclopenta-1,3-dieneFerrocene, 1,1'-dimethyl-(8CI,9CI)Ferrocene, 1,1'-dimethyl- (8CI,9CI)EINECS 215-067-31,1-DimethylferroceneSCHEMBL29448804SCHEMBL30162012DTXSID40926295ferrous;1-methylcyclopenta-1,3-dieneAKOS028109503Iron(2+) bis(2-methylcyclopenta-2,4-dien-1-ide)Dimethyl ferrocene
Show more names
1,1'-Dimethylferrocene1,1'-Dimethylferrocene>1,1′-Dimethylferrocene 95%1,1'-Dimethylferrocene ,98%1,1'-Dimethylferrocene ,97%1,1'-Dimethylferrocene,min.98%BIS(METHYLCYCLOPENTADIENYL)IRON1,1'-Dimethylferrocene, min. 98%
Database identifiers
- CAS
1291-47-0- PubChem CID
- 94200
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 33.3
Physicochemical properties
- Melting point
- 37 · 37-40 °C(lit.)
- Boiling point
- 70 · 70-80 °C(Press: 2 Torr)
- Density
- 1.2349 g/cm3 · 1.2349 g/cm3(Temp: 35 °C)
- Flash point
- 226 °F · 226 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- crystal
- color
- orange
- Water Solubility
- Slightly soluble in methanol. Insoluble in water.
- Sensitive
- air sensitive
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/2C6H7.Fe/c2*1-6-4-2-3-5-6;/h2*2-5H,1H3;
- InChIKey
- GJFIEPAJMYPAGC-UHFFFAOYSA-N
- SMILES
- [C]1(C)[CH][CH][CH][CH]1.[C]1(C)[CH][CH][CH][CH]1.[Fe] |^1:0,2,3,4,5,6,8,9,10,11|
- CAS DataBase Reference
- 1291 · 1291-47-0(CAS DataBase Reference)
- UNSPSC Code
- 12161600 · 12161600
- NACRES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29319090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Applications
UsesIt is used as a combustion control additive in fuels, antiknock agent in gasoline, and for heat stabilization in greases and plastics. It is used as a catalyst for synthesis of ammonia, polymerization.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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