CAS 16743-33-2|Zinc hexafluoroacetylacetonate dihydrate 98%|zinc(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) dihydrate|zinc, ion (zn2+) bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-ola...

Molecular Formula

C₁₀H₆F₁₂O₆Zn

Molecular Mass

515.5118784

Exact Mass

513.92641855

InChI

InChI=1S/2C5H2F6O2.2H2O.Zn/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*1,12H;2*1H2;/q;;;;+2/p-2

InChIKey

HHDNHEKLDWSJAJ-UHFFFAOYSA-L

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.O.[Zn+2]

Isomeric Smiles

[Zn+2].FC(/C(=C/C(=O)C(F)(F)F)/[O-])(F)F.FC(F)(F)/C(=C/C(=O)C(F)(F)F)/[O-].O.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

5708908

Synonyms

Zinc hexafluoroacetylacetonate dihydrate 98%Zinc hexafluoroacetylacetonateZinc hexafluoro-2,4-pentanedionate dihydrate六氟乙酰丙酮锌二水合物

IUPAC name

zinc(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) dihydrate zinc(2+) ion bis((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) dihydrate

IUPAC Traditional name

zinc, ion (zn2+) bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) dihydrate zinc(2+) ion bis((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) dihydrate

MDL Number

MFCD00150577

CAS Number

16743-33-2

PubChem SID

162086184

Safety Information

Storage Warning

Irritant

GHS Precautionary statements

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

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

Risk Statements

36/37/38

Safety Statements

26-37

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

GHS Hazard statements

H315-H319-H335

Physical Property

Melting Point

157-158°C

Apperance

Powder

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Academic Data

PubChem

5708908

Synonyms

Zinc hexafluoroacetylacetonate dihydrate 98%Zinc hexafluoroacetylacetonateZinc hexafluoro-2,4-pentanedionate dihydrate六氟乙酰丙酮锌二水合物

IUPAC name

zinc(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) dihydrate zinc(2+) ion bis((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) dihydrate

IUPAC Traditional name

zinc, ion (zn2+) bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) dihydrate zinc(2+) ion bis((2Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) dihydrate

MDL Number

MFCD00150577

CAS Number

16743-33-2

PubChem SID

162086184

Safety Information

Storage Warning

Irritant

GHS Precautionary statements

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

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

Risk Statements

36/37/38

Safety Statements

26-37

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

GHS Hazard statements

H315-H319-H335

Physical Property

Melting Point

157-158°C

Apperance

Powder

No Data Available

Click here to submit data

Molecule

ID:99938