CAS 142617-56-9|Bismuth(III) hexafluoroacetylacetonate 97%|bismuth(3+) ion tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)|bismuth(3+) ion tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)|bis...

Molecular Formula

C₁₅H₃BiF₁₈O₆

Molecular Mass

830.1323776

Exact Mass

829.94461878

InChI

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

InChIKey

WZGOGRCUXHKWMD-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.[Bi+3]

Isomeric Smiles

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

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

71299609

Synonyms

Bismuth(III) hexafluoroacetylacetonate 97%六氟乙酰丙酮铋Bismuth hexafluoro-2,4-pentanedionate

IUPAC Traditional name

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

IUPAC name

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

MDL Number

CAS Number

PubChem CID

PubChem SID

Safety Information

Storage Warning

Irritant

Safety Statements

26-37

Risk Statements

36/37/38

GHS Hazard statements

H315-H319-H335

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

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

GHS Precautionary statements

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

Physical Property

Product Information

Purity

97+%

No Data Available

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Academic Data

PubChem

71299609

Synonyms

Bismuth(III) hexafluoroacetylacetonate 97%六氟乙酰丙酮铋Bismuth hexafluoro-2,4-pentanedionate

IUPAC Traditional name

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

IUPAC name

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

MDL Number

CAS Number

PubChem CID

PubChem SID

Safety Information

Storage Warning

Irritant

Safety Statements

26-37

Risk Statements

36/37/38

GHS Hazard statements

H315-H319-H335

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

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

GHS Precautionary statements

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

Physical Property

Product Information

Purity

97+%

No Data Available

Click here to submit data

Molecule

ID:94711