Grundinformationen
- Standard-SMILES
[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1- InChIKey
KTWOOEGAPBSYNW-UHFFFAOYSA-N- Summenformel
- C10H10Fe
- Durchschnittliche Molmasse
- 186,03 g/mol
- Monoisotopische Masse
- 186,013186
Namen und Bezeichner
- Bevorzugter Name
- Bis(eta-cyclopentadienyl) iron
- IUPAC
- bis(cyclopenta-1,3-diene);iron(2+)
- Lokaler Name
- Ferrocen
- Englischer Name
- Ferrocene
- Summenformel
- C10H10Fe
- Molmasse
- 186.03
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
102-54-5- PubChem CID
- 7611
- UNII
- U96PKG90JQ
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 11
Physikochemische Eigenschaften
- Schmelzpunkt
- 172 · 172-174 °C (lit.)
- Siedepunkt
- 249 °C · 249 °C (lit.)
- Dichte
- 1.49 · 1.490
- Dampfdruck
- 0.03 mm · 0.03 mm Hg ( 40 °C)
- Flammpunkt
- 100 °C · 100°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O; · insoluble in H2O; soluble in ethanol, ethyl ether,benzene, dilute HNO 3
- Aggregatzustand
- crystal
- Farbe
- orange
- Wasserlöslichkeit
- practically insoluble
- Merck
- 14 · 14,4037
- Stabilität
- Stable at room temperature. Incompatible with strong oxidizing agents. Highly flammable.
- InChI
- 1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;
- InChIKey
- DFRHTHSZMBROSH-UHFFFAOYSA-N
- SMILES
- [Fe].[CH]1[CH][CH][CH][CH]1.[CH]2[CH][CH][CH][CH]2
- LogP
- 3.711 at · 3.711 at 22℃
- CAS Datenbank
- 102 · 102-54-5(CAS DataBase Reference)
- NIST chemische Informationen
- Ferrocene(102-54-5)
- EPA chemische Informationen
- Ferrocene (102-54-5)
Sicherheit und Regulatorisches
Sicherheitsdaten
- OEB
- B
- OEL
- TWA: 10 mg/m3 (total)
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29310095
- RTECS-Nr.
- LK0700000
- risk_code
- 11-22-51/53-2017/11/22
- Toxizität
- LD50 orally in Rabbit: 1320 mg/kg LD50 dermal Rat > 3000 mg/kg
- hazard_code
- F,Xn,N
- safety_code
- 61-22-24/25
- hazard_class
- 4.1
- packing_group
- II
- Speicherklasse
- 4.1B - Flammable solid hazardous materials
- Giftige Stoffe Daten
- 102-54-5(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Flam. Sol. 1Repr. 1BSTOT RE 2 Inhalation
- Selbstentzündungstemperatur
- >150 °C
Chemie und Industrie
Anwendungen
VerwendenFerrocene 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.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
Definitionferrocene: An orange-red crystallinesolid, Fe(C5H5)2; m.p. 173°C. Itcan be made by adding the ioniccompound Na+C5H5- (cyclopentadienylsodium, made from sodium andcyclopentadiene) to iron(III) chloride.In ferrocene, the two rings are parallel,with the iron ion sandwiched betweenthem (hence the namesandwich compound: see formula).The bonding is between pi orbitalson the rings and d-orbitals on theFe2+ ion. The compound can undergoelectrophilic substitution on theC5H5rings (they have some aromatic character).It can also be oxidized to theblue ion (C5H5)2Fe+. Ferrocene is the first of a class of similar complexescalled sandwich compounds. Its systematicname is di-π-cyclopentadienyliron(II).
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…