CAS 18911-76-7|yttrium(3+) ion tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)|Yttrium(III) hexafluoroacetylacetonate 98%|yttrium(3+) tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)|六氟-乙酰...

Molecular Formula

C₁₅H₃F₁₈O₆Y

Molecular Mass

710.0578276

Exact Mass

709.87006878

InChI

InChI=1S/3C5H2F6O2.Y/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3

InChIKey

VJOUMINOGFSOBW-UHFFFAOYSA-K

Canonic Smiles

[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[Y+3]

Isomeric Smiles

[Y+3].FC(/C(=C/C(=O)C(F)(F)F)/[O-])(F)F.FC(F)(F)/C(=C/C(=O)C(F)(F)F)/[O-].FC(F)(F)/C(=C/C(=O)C(F)(F)F)/[O-]

JChem

Acid pKa

3.7387822

H Acceptors

H Donor

LogD (pH = 5.5)

0.31378

LogD (pH = 7.4)

-1.2143137

Log P

2.0751166

Molar Refractivity

40.9013

Polarizability

10.132205

Polar Surface Area

40.13

Rotatable Bonds

Lipinski's Rule of Five

false

Academic Data

PubChem

5708907

IUPAC name

yttrium(3+) ion tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) yttrium(3+) ion tris((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

Synonyms

Yttrium(III) hexafluoroacetylacetonate 98%六氟-乙酰丙酮钇(III)Yttrium(III) hexafluoro-2,4-pentanedionateYttrium hexafluoroacetylacetonate

IUPAC Traditional name

yttrium(3+) tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) yttrium(3+) ion tris((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

CAS Number

18911-76-7

MDL Number

MFCD00064764

PubChem SID

162086178

Physical Property

Melting Point

166-170°C

Apperance

Crystalline

Safety Information

Storage Warning

Irritant

GHS Hazard statements

H315-H319-H335

Risk Statements

36/37/38

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Safety Statements

26-37-60

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

TSCA Listed

否

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Academic Data

PubChem

5708907

IUPAC name

yttrium(3+) ion tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) yttrium(3+) ion tris((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

Synonyms

Yttrium(III) hexafluoroacetylacetonate 98%六氟-乙酰丙酮钇(III)Yttrium(III) hexafluoro-2,4-pentanedionateYttrium hexafluoroacetylacetonate

IUPAC Traditional name

yttrium(3+) tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) yttrium(3+) ion tris((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

CAS Number

18911-76-7

MDL Number

MFCD00064764

PubChem SID

162086178

Physical Property

Melting Point

166-170°C

Apperance

Crystalline

Safety Information

Storage Warning

Irritant

GHS Hazard statements

H315-H319-H335

Risk Statements

36/37/38

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Safety Statements

26-37-60

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

TSCA Listed

否

No Data Available

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Molecule

ID:99932