CAS 14781-45-4|CAS 155640-85-0|copper(2+) bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) hydrate|copper(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) hydrate|Copper(II) hexafluoroac...

General Information

Structure

Molecular Formula

C₁₀H₄CuF₁₂O₅

Molecular Mass

495.6625984

Exact Mass

494.91630937

Charge

InChI

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

InChIKey

SREVICRJIZZXHD-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.[Cu+2]

Isomeric Smiles

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

Calculated Properties

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

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

Copper(II) hexafluoroacetylacetonate hydrate 97%Copper(II) hexafluoro-2,4-pentanedionate hydrateCopper(II) hexafluoroacetylacetonate hydrateBis(1,1,1,5,5,5-hexafluoroacetylacetonato)copper(II) hydrate双(六氟乙酰丙酮)铜(II)水合物

Names and Identifiers

Registration numbers

MDL Number

MFCD00151019

CAS Number

14781-45-4155640-85-0

PubChem SID

162081290

PubChem CID

15860928

EC Number

238-850-1

Registration numbers

Properties

Safety Information

Storage Warning

Irritant

Hygroscopic

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

TSCA Listed

否

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

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

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

Safety Statements

26-37/39

Physical Property

Melting Point

130-134°C

ca 100°C

Boiling Point

220°C

Product Information

Purity

98%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

Registration numbers

MDL Number

MFCD00151019

CAS Number

14781-45-4155640-85-0

PubChem SID

162081290

PubChem CID

15860928

EC Number

238-850-1

Properties

Safety Information

Storage Warning

Irritant

Hygroscopic

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

TSCA Listed

否

GHS Hazard statements

H315-H319-H335

GHS Precautionary statements

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

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

Safety Statements

26-37/39

Physical Property

Melting Point

130-134°C

ca 100°C

Boiling Point

220°C

Product Information

Purity

98%

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:94636