1-Ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-2,2',4,4'-tetraene
Basic information
- CAS
102-54-5- Standard SMILES
[Fe].[c-]1[c-][c-][cH-][c-]1.[c-]1[c-][c-][cH-][c-]1- InChIKey
VPFYNMLFXKDJTL-UHFFFAOYSA-N- Molecular formula
- C10H2Fe-10
- Average molar mass
- 177.97 g/mol
- Monoisotopic mass
- 177.950586
Names & identifiers
- Preferred name
- 1-Ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-2,2',4,4'-tetraene
- IUPAC
- bis(cyclopenta-1,3-diene);iron
- English name
- Ferrocene
- Molecular formula
- C10H10Fe
- Molecular weight
- 186.03
Names & synonyms
Iron,4-cyclopentadien-1-yl)-NSC209798NSC-209798EN300-285401-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-2,2',4,4'-tetraeneermaotieFERROCENBIS(CYCLOPENTADIENYL)IRONBIS(CYCLOPENTADIEN)IRONcataneFerrotsenOxolan-3-ol
Show more names
DICYCLOPENTADIENYLIRONIRON DICYCLOPENTADIENYLFERROCENE
Database identifiers
- CAS
102-54-5- PubChem CID
- 407133
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- -10
- Complexity
- 143
Physicochemical properties
- Melting point
- 172 · 172-174 °C (lit.)
- Boiling point
- 249 °C · 249 °C (lit.)
- Density
- 1.49 · 1.490
- bulk density
- 500 kg/m3 · 500kg/m3
- vapor pressure
- 0.03 mm · 0.03 mm Hg ( 40 °C)
- Flash point
- 100 °C · 100°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O; · insoluble in H2O; soluble in ethanol, ethyl ether,benzene, dilute HNO 3
- form
- crystal
- color
- orange
- Water Solubility
- practically insoluble
- Sensitive
- Air & Moisture Sensitive
- λmax
- 358 nm · 358 nm
- Sublimation
- 100 · 100 ºC
- Merck
- 14 · 14,4037
- Exposure limits
- 10 mg/m3,as · ACGIH:TLV-TWA 10 mg/m3,as FeOSHA:PEL-TWA 15 mg/m3 (total dust),5 mg/m3 (respirable fraction)NIOSH:REL-TWA 10 mg/m3 (total dust),5 mg/m3 (respirable fraction)
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
- OEB
- B
- OEL
- TWA: 10 mg/m3 (total)
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LK0700000
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29310095
- Toxicity
- LD50 orally in Rabbit: 1320 mg/kg LD50 dermal Rat > 3000 mg/kg
- risk_code
- 11-22-51/53-2017/11/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- hazard_code
- F,Xn,N
- safety_code
- 61-22-24/25
- hazard_class
- 4.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- II
- target organs
- Liver
- Hazard statements
- H228-H302+H332-H360FD-H373-H410
- Limited Quantities
- 1.0 Kg (2.2 lbs)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Flam. Sol. 1Repr. 1BSTOT RE 2 Inhalation
- Autoignition Temperature
- >150 °C
- Precautionary statements
Chemistry & industry
Applications
UsesFerrocene and its derivatives have various applications in different fields. It can be used as additives in rocket fuel, antiknock agent in gasoline, curing agent in rubber and silicone resin, and ultraviolet absorber. It can also be used in the production of metal-containing polymers and as a coating material for spacecraft. Ferrocene has a smoke abatement and combustion facilitating effect, which can reduce smoke production and increase power efficiency in fuel. It can also be used as an iron fertilizer for plants and as a pesticide. Ferrocene derivatives have applications as antioxidants, stabilizers, catalysts, and promoting agents in different industrial and organic synthesis processes. Addition of ferrocene to fuels such as diesel, gasoline, heavy oil, and coal can decrease the fuel consumption rate and reduce smoke production. Overall, ferrocene has unique characteristics that make it suitable for various applications in different fields.
UsesFerrocene is used as a catalyst for vulcanization, acceleration, and polymerization, as a chemical intermediate for polymeric compounds such as high temperature polymers, as an antiknock additive for gasoline, as a coating for missiles and satellites, and as a high-temperature lubricant.
General DescriptionFerrocene appears as orange crystalline solid or orange-yellow powder. Sublimes above 212 °F. Camphor odor. (NTP, 1992)
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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