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Tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]iron

Tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]iron structure

CAS No:
12093-05-9
Formula:
C11H8FeO3
Chemical Name:
Tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]iron
Synonyms:
Iron,tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]-;Iron,tricarbonyl(1,3,5,7-cyclooctatetraene)-;Cyclooctatetraeneiron tricarbonyl;1,3,5,7-Cyclooctatetraene,iron complex;Tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]iron;Cyclooctatetraenetricarbonyliron;Tricarbonyl(cyclooctatetraene)iron;Tricarbonyl(η4-cyclooctatetraene)iron;1,3,5,7-Cyclooctatetraeneiron tricarbonyl;NSC 167370;NSC 168049
Categories:
Organic Chemistry > Organometallic Compounds

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Tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]iron Basic Attributes

Molecular Weight：

244.02

Exact Mass：

243.98200

Characteristics

PSA：

XLogP3：

1.59830

Appearance：

red to brown crystal

Melting Point：

94 °C

Boiling Point：

140.5ºC at 760 mmHg

Flash Point：

22.2ºC

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN3466

wgk germany：

hazard class code：

20/21/22

safety instructions：

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:244.02
Hydrogen Bond Acceptor Count:3
Exact Mass:243.982280
Monoisotopic Mass:243.982280
Topological Polar Surface Area:51.2
Heavy Atom Count:15
Complexity:88.4
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes

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Guide of Tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]iron

Basic Attributes
Characteristics
Safety Information
Computed Properties
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Tricarbonyl[(1,2,3,4-η)-1,3,5,7-cyclooctatetraene]iron

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