Molybdenum,4-pentanedionato-O,O')-

HCID 413802

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Basic information

CAS: 17524-05-9
Standard SMILES: CC(=O)CC(C)=O.CC(=O)CC(C)=O.[O]=[Mo]=[O]
InChIKey: YVUTVJXMUXHZGH-UHFFFAOYSA-N
Molecular formula: C10H16MoO6
Average molar mass: 328.18 g/mol
Monoisotopic mass: 330.000092

Names & identifiers

Preferred name: Molybdenum,4-pentanedionato-O,O')-
IUPAC: dioxomolybdenum;bis(pentane-2,4-dione)
English name: Molybdenyl acetylacetonate
Molecular formula: C10H14MoO6
Molecular weight: 326.15

Names & synonyms

NSC52176Molybdenum,4-pentanedionato-O,O')-NSC-52176MoO2(acac)2bis(2,4-pentanedionato)dioxomolybdenum(vi)Bis(acetylacetonato)dioxoMolybdenuMBIS(ACETYLACETONATO)DIOXOMOLYBDENUM(VI)BIS(2,4-PENTANEDIONATO)MOLYBDENUM(VI) DIOXIDEBis(acetyLybdenum(VI)acetonato)dioxomoLdioxomolybdenum(2+)

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Molybdenyl acetylacetote

Database identifiers

CAS: 17524-05-9
PubChem CID: 413802

Properties

Computed structural properties

Topological polar surface area: 102 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 259

Physicochemical properties

Melting point: 184 °C · 184 °C (dec.) (lit.)
Density: 1 · 1,64 g/cm3
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Powder
color: Pale yellow
Specific Gravity: 1.64 · 1.640
Water Solubility: 8.52 g/100 · 8.52 g/100 mL (20 ºC)
Sensitive: Air Sensitive
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
Exposure limits: 0.5 mg/m3NIOSH: · ACGIH: TWA 0.5 mg/m3NIOSH: IDLH 1000 mg/m3
InChI: InChI=1S/2C5H8O2.Mo.2O/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;;;/q;;+2;;/p-2/b2*4-3-;;;
InChIKey: SKMUJBBRXZPAJY-VGKOASNMSA-L
SMILES: [Mo](=O)(=O)(O/C(/C)=C\C(=O)C)O/C(/C)=C\C(=O)C
NIST Chemistry Reference: Molybdenyl acetylacetonate(17524-05-9)
UNSPSC Code: 12161600 · 12161600
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335-H351
Precautionary statements: 280 · P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338-P308+P313
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38-40
Safety Statements: 23 · 23-26-36/37/39-45-24/25
WGK Germany: 3 · 3
TSCA: No
HS Code: 29144000 · 29144000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: No
hs_code: 29144000
risk_code: 20/21/22-36/37/38-40
Signal word: Warning
Symbol(GHS): GHS07,GHS08
hazard_code: Xn,Xi
safety_code: 23-26-36/37/39-45-24/25
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335-H351
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338-P308+P313

Chemistry & industry

Applications · 1 item

UsesForms a functional model compound for the study of oxotransferase molybdenum enzymes. Mild catalyst for the deprotection of acetals in high yield. Catalyzes high yield oxidation of secondary alcohols to ketones with sodium percarbonate and phase-transfer catalyst.

Preparation methods · 1 item

PreparationMolybdenyl acetylacetonate can be prepared by reacting molybdenum trioxide and acetylacetonate in ammonia water and then acidifying with nitric acid; molybdenyl acetylacetonate can also be prepared by reacting diethoxy molybdenum dioxide and acetylacetonate in toluene.

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

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