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Ferrocene

Ferrocene structure

CAS No:
102-54-5
Formula:
C10H10Fe
Chemical Name:
Ferrocene
Synonyms:
Ferrocene;Di-2,4-cyclopentadien-1-yliron;Dicyclopentadienyliron;Iron,bis(η5-2,4-cyclopentadien-1-yl)-;Iron bis(cyclopentadienide);Bis(cyclopentadienyl)iron;Iron dicyclopentadienyl;Bis(η-cyclopentadienyl)iron;Di-π-cyclopentadienyl iron;Ferrotsen;Catane TM;Bis(η5-cyclopentadienyl)iron;NSC 2033;NSC 209798;NSC 44012;PLUTOcen G;51364-12-6;55404-68-7;774583-14-1;856324-92-0;856780-21-7;1080518-86-0;2060533-81-3
Categories:
Organic Chemistry > Aldehydes

Description

It is an orange needles like crystal with its melting point being 172.5-173 ℃. It undergoes sublimation at temperature higher than 100 ℃. Its boiling point is 249 ℃. It is soluble in dilute nitric acid, concentrated sulfuric acid, benzene, ether, petroleum ether and tetrahydrofuran. It can generate bluish fluorescence-containing deep red solution in dilute nitric acid and concentrated sulfuric acid. It is insoluble in water, 10% sodium hydroxide and hot concentrated hydrochloric acid. In the bo

Ferrocene Basic Attributes

Molecular Weight：

186.03100

Exact Mass：

186.01300

EC Number：

203-039-3

UNII：

U96PKG90JQ

HScode：

29310095

Characteristics

PSA：

0 Å²

XLogP3：

2.63090

Appearance：

Ferrocene appears as orange crystalline solid or orange-yellow powder. Sublimes above 212°F. Camphor odor. (NTP, 1992)

Density：

1.49 g/cm³

Melting Point：

173-174 °C

Boiling Point：

249 °C

Flash Point：

100ºC

Refractive Index：

1.4465 (20ºC)

Water Solubility：

Practically insoluble in water;Sensitive to prolonged exposure to air and may be sensitive to light. Insoluble in water.

Storage Conditions：

Flammables area

Vapor Pressure：

0.03 mm Hg ( 40 °C)

Toxicity：

LD50 orally in Rabbit: 1320 mg/kg LD50 dermal Rat > 3000 mg/kgOral-rat LD50: 1320 mg/kg; Oral-Mouse LD50: 832 mg/kg.

Flammability characteristics：

flammable with the combustion generating iron-containing acrid smoke

Odor：

Camphor-like

Safety Information

Packing level：

Hazard category：

4.1

Transport codes：

UN 1325

wgk germany：

hazard class code：

R11; R22; R51/53

safety instructions：

S22-S61

RTECS Number：

LK0700000

Marks：

Storage features：

warehouse: ventilated, low temperature and dry; Store it separately from oxidants.

Stability/Shelf Life：

Stable at room temperature. Incompatible with strong oxidizing agents. Highly flammable.

Toxicity

Toxicity class：

poisoning

Drug Information

MeSH Entry Terms：

dicyclopentadienyliron

Ferrocene Use and Manufacturing

Ferrocene is an organometallic compound with the formula Fe(C5H5)2. It is the prototypical metallocene, a type of organometallic chemical compound consisting of two cyclopentadienyl rings bound on opposite sides of a central metal atom. Such organometallic compounds are also known as sandwich compounds. The rapid growth of organometallic chemistry is often attributed to the excitement arising from the discovery of ferrocene and its many analogues.

Computed Properties

Molecular Weight:186.03
Hydrogen Bond Acceptor Count:2
Exact Mass:186.013186
Monoisotopic Mass:186.013186
Heavy Atom Count:11
Complexity:11.6
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

Material

Ferric Chloride

Ferrous chloride

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