CAS 21679-31-2|CHROMIC ACETYLACETONATE|chromium(3+) tris(4-oxopent-2-en-2-olate)|chromium(3+) ion tris(4-oxopent-2-en-2-olate)|Chromium(III) acetylacetonate|Chromium(III) 2,4-pentanedionate|Tris(2,4...

Molecular Formula

C₁₅H₂₁CrO₆

Molecular Mass

349.31974

Exact Mass

349.07432089

InChI

InChI=1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3

InChIKey

JWORPXLMBPOPPU-UHFFFAOYSA-K

Canonic Smiles

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

Isomeric Smiles

[Cr+3].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-]

JChem

Acid pKa

9.890059

H Acceptors

H Donor

LogD (pH = 5.5)

0.34448203

LogD (pH = 7.4)

0.34309724

Log P

0.3444997

Molar Refractivity

39.1896

Polarizability

10.113493

Polar Surface Area

40.13

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

5484009

Synonyms

CHROMIC ACETYLACETONATEChromium(III) acetylacetonateChromium(III) 2,4-pentanedionateTris(2,4-pentanedionato)chromium(III)乙酰丙酮铬(III)

IUPAC Traditional name

chromium(3+) tris(4-oxopent-2-en-2-olate) chromium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

IUPAC name

chromium(3+) ion tris(4-oxopent-2-en-2-olate) chromium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

CAS Number

21679-31-2

PubChem SID

162094350

MDL Number

MFCD00000015

Product Information

Certificate of Analysis

Download link

Purity

97%

Safety Information

RTECS

GB7575000

MSDS Link

Download link

S:36/37/39-61

26-37

R:22-58

36/38

Harmful (Xn)

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

是

H315-H319

P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Physical Property

No Data Available

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No Data Available

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MP Biomedicals

05208809

MP Biomedicals Rare Chemical collection

From Data Sources

• Catalyzes the oxidative cleavage of methacrylic to pyruvic esters by hydrogen peroxide: Chem. Lett., 99 (1989).

Academic Data

PubChem

5484009

Synonyms

CHROMIC ACETYLACETONATEChromium(III) acetylacetonateChromium(III) 2,4-pentanedionateTris(2,4-pentanedionato)chromium(III)乙酰丙酮铬(III)

IUPAC Traditional name

chromium(3+) tris(4-oxopent-2-en-2-olate) chromium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

IUPAC name

chromium(3+) ion tris(4-oxopent-2-en-2-olate) chromium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

CAS Number

PubChem SID

MDL Number

MP Biomedicals Rare Chemical collection

From Data Sources

• Catalyzes the oxidative cleavage of methacrylic to pyruvic esters by hydrogen peroxide: Chem. Lett., 99 (1989).

Product Information

Certificate of Analysis

Download link

Purity

97%

Safety Information

RTECS

GB7575000

MSDS Link

Download link

S:36/37/39-61

26-37

R:22-58

36/38

Harmful (Xn)

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

是

H315-H319

P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Physical Property

Nature polluting (N)

Irritant (Xi)

Molecule

ID:108810