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Product No: EA7529

Iron(III) trifluoroacetylacetonate, 98%

Name: Iron(III) trifluoroacetylacetonate
Brand: Chempure

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CAS Number

14526-22-8

Molecular Weight

515.08

Formula

C15H12F9FeO6

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IUPAC name	iron(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
canonical smiles	CC(=O)C=C(C(F)(F)F)[O-].CC(=O)C=C(C(F)(F)F)[O-].CC(=O)C=C(C(F)(F)F)[O-].[Fe+3]
inchi	InChI=1S/3C5H5F3O2.Fe/c31-3(9)2-4(10)5(6,7)8;/h32,10H,1H3;/q;;;+3/p-3/b3*4-2-;
inchi key	DYSQBHKDTAZKQW-DJFUMVPSSA-K
molecular formula	C15H12F9FeO6
synonyms	14526-22-8 Iron(III) trifluoroacetylacetonate Iron(III)trifluoroacetylacetonate Iron (III) trifluoroacetylacetonate J-017226

Computed Properties

Molecular Weight:	515.08 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	15
Rotatable Bond Count:	3
Exact Mass:	514.983952 g/mol
Monoisotopic Mass:	514.983952 g/mol
Topological Polar Surface Area:	120 Å²
Heavy Atom Count:	31
Formal Charge:	0
Complexity:	168
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	4
Compound Is Canonicalized:	Yes

Related Compounds

iron;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

Iron(III) trifluoroacetylacetonate

iron(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

cobalt;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-, chromium(3+) salt, (3:1)

CID 5373565

CID 135449825

Manganese;5,5,5-trifluoro-4-hydroxypent-3-en-2-one

copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

Nickel 1,1,1-trifluoro 2,4-pentanedionate

Chromium;5,5,5-trifluoro-4-hydroxypent-3-en-2-one

Nickel trifluoroacetylacetonate dihydrate

neodymium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

Nickel(II) trifluoroacetylacetonate dihydrate

(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one

hazard signal	Warning
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	iron(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
canonical smiles	CC(=O)C=C(C(F)(F)F)[O-].CC(=O)C=C(C(F)(F)F)[O-].CC(=O)C=C(C(F)(F)F)[O-].[Fe+3]
inchi	InChI=1S/3C5H5F3O2.Fe/c31-3(9)2-4(10)5(6,7)8;/h32,10H,1H3;/q;;;+3/p-3/b3*4-2-;
inchi key	DYSQBHKDTAZKQW-DJFUMVPSSA-K
molecular formula	C15H12F9FeO6
synonyms	14526-22-8 Iron(III) trifluoroacetylacetonate Iron(III)trifluoroacetylacetonate Iron (III) trifluoroacetylacetonate J-017226

Computed Properties

Molecular Weight:	515.08 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	15
Rotatable Bond Count:	3
Exact Mass:	514.983952 g/mol
Monoisotopic Mass:	514.983952 g/mol
Topological Polar Surface Area:	120 Å²
Heavy Atom Count:	31
Formal Charge:	0
Complexity:	168
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	4
Compound Is Canonicalized:	Yes

Related Compounds

iron;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

Iron(III) trifluoroacetylacetonate

iron(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

cobalt;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-, chromium(3+) salt, (3:1)

CID 5373565

CID 135449825

Manganese;5,5,5-trifluoro-4-hydroxypent-3-en-2-one

copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

Nickel 1,1,1-trifluoro 2,4-pentanedionate

Chromium;5,5,5-trifluoro-4-hydroxypent-3-en-2-one

Nickel trifluoroacetylacetonate dihydrate

neodymium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

Nickel(II) trifluoroacetylacetonate dihydrate

(Z)-1,1,1,5,5,5-hexafluoro-4-[(Z)-4-oxopent-2-en-2-yl]peroxypent-3-en-2-one

hazard signal	Warning
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: EA7529

Iron(III) trifluoroacetylacetonate, 98%

Product No: EA7529

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: EA7529

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?