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17501-44-9

17501-44-9 Structure

17501-44-9 Structure
IdentificationBack Directory
[Name]

ZIRCONIUM(IV) ACETYLACETONATE
[CAS]

17501-44-9
[Synonyms]

ac150
X 1044
ZC 150
ZR 181
orgatixzc150
nasemuzirconium
acetyl-zirconiuacetonate
2,4-pentanedione,zrderiv.
ZIRCONIUM ACETYLACETONATE
ZirconiuM(IV) acetylaceton
Zirconium(Ⅳ) acetylacetonate
ZIRCONIUM 2,4-PENTANEDIONATE
ZIRCONIUM(IV) ACETYLACETONATE
tetraacetylacetonatezirconium
Zinconium (IV) acetylacetonate
Zirconium tetraacetylacetonate
ZIRCONIUM(IV) 2,4-PENTANEDIONATE
ACETYLACETONE ZIRCONIUM(IV) SALT
2,4-pentanedione,zirconiumcomplex
Tetrakis(acetylacetonyl)zirconium
ZirconiuM(IV) acetylacetonate 98%
Tetrakis(acetylacetonato)zirconium
2,4-Pentanedione, zirconium complex
Zirconium tetrakis(acetylacetonate)
ACETYLACETONE, ZIRCONIUM DERIVATIVE
Zirconium(IV)acetylacetonate,min.98%
"Zirconium 2,4-pentanedionate/ 98+%"
Zirconium, tetrakis(acetylacetonato)-
tetrakis(2,4-pentanedionato)-zirconiu
Tetrakis(2,4-pentanedionato)zirconium
TETRAKIS(ACETYLACETONATO)ZIRCONIUM(IV)
Zirconium tetrakis(2,4-pentanedionate)
Zirconium(IV) acetylacetonate, min. 98%
ZIRCONIUM(IV) ACETYLACETONATE FOR SYNTHE
Zirconium, tetrakis(pentan-2,4-dionato)-
Zirconium, tetrakis(2,4-pentanedionato)-
TETRAKIS(2,4-PENTANEDIONATO)ZIRCONIUM(IV)
2,4-PENTANEDIONE, ZIRCONIUM(IV) DERIVATIVE
tetrakis(2,4-pentanedionato-o,o’)-zirconiu
tetrakis(2,4-pentanedionato-O,o’)zirconium
tetrakis(pentane-2,4-dionato-O,O')zirconium
zirconium,tetrakis(2,4-pentanedionato-O,o’)-
Tetrakis(acetylacetonato)-zirconium(IV)(β-form)
Zirconium acetylacetonate Acetylacetone Zirconium(IV) Salt
Acetylacetone Zirconium(IV) Salt Zirconium(IV) Acetylacetonate
4-pentanedionato-o,o’)-tetrakis((sa-8-11’’11’’1’1’’’1’1’’’)-zirconiu
tetrakis(2,4-pentanedionato-kappao,kappao’)-zirconiu(sa-8-11’’11’’1’1’’’
tetrakis(2,4-pentanedionato-O,O’)-,(SA-8-11’’11’’1’1’’’1’1’’’)-Zirconium
Zirconium, tetrakis(2,4-pentanedionato-O,O')-, (SA-8-11''11''1'1'''1'1''')-
Zirconium, tetrakis(2,4-pentanedionato-.kappa.O,.kappa.O)-, (SA-8-11111111)-
2,4-Pentanedione zirconium(IV) derivative Tetrakis(2,4-pentanedionato)zirconium(IV)
Tetrakis(acetylacetonato)zirconium(IV)~Tetrakis(2,4-pentanedionato)zirconium(IV)~Zirconium(IV)2,4-pentanedionate
2,4-Pentanedione zirconium(IV) derivative, Tetrakis(2,4-pentanedionato)zirconium(IV), Zirconium(IV) 2,4-pentanedionate
[EINECS(EC#)]

241-510-5
[Molecular Formula]

C20H28O8Zr
[MDL Number]

MFCD00000036
[MOL File]

17501-44-9.mol
[Molecular Weight]

487.66
Chemical PropertiesBack Directory
[Melting point ]

191-195 °C
[bulk density]

500kg/m3
[density ]

1.42g/cm3 at 20℃
[vapor pressure ]

0-0Pa at 20-25℃
[storage temp. ]

Store below +30°C.
[solubility ]

14g/l
[form ]

Powder
[color ]

white
[PH]

7.2 (4.5g/l, H2O, 20℃)
[Water Solubility ]

Soluble in water.
[BRN ]

4160373
[Exposure limits]

ACGIH: TWA 5 mg/m3; STEL 10 mg/m3
NIOSH: IDLH 25 mg/m3; TWA 5 mg/m3; STEL 10 mg/m3
[InChI]

1S/4C5H8O2.Zr/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/q;;;;+4/p-4/b4*4-3-;
[InChIKey]

FPFOSIXCIBGKOH-MTOQALJVSA-J
[SMILES]

CC(=O)\C=C(\C)O[Zr](O\C(C)=C/C(C)=O)(O\C(C)=C/C(C)=O)O\C(C)=C/C(C)=O
[LogP]

0.12-0.2 at 20℃ and pH7.1
[Surface tension]

67.28mN/m at 1g/L and 20℃
[EPA Substance Registry System]

Zirconium, tetrakis(2,4-pentanedionato-.kappa.O,.kappa.O')-, (SA-8-11''11''1'1'''1'1''')- (17501-44-9)
Hazard InformationBack Directory
[Chemical Properties]

Light yellow powder
[Uses]

Zirconium(IV) 2,4-pentanedionate is used as a cross-linking agent for oxygen-containing polymers. It is used as a catalyst in organic synthesis for the nitration of o-nitrotoluene using a dinitrogen pentoxide to get 2,4-dinitrotoluenes and 2,6-dinitrotoluenes.
[Application]

Starting material for zirconium metallomesogens: zirconium tetrakis-β-diketonate liquid crystals.
[reaction suitability]

core: zirconium
reagent type: catalyst
[Purification Methods]

The zirconium complex crystallises from hot 95% EtOH (m 190-191o) or pet ether and sublimes in vacuo at 140o with slight decomposition. The decahydrate effloresces in air and dehydrates in a 0.1mm vacuum. Its solubility in 1L at 20o is 30g in CS2, 47g in CCl4, 44g in ethylene dibromide, 56g in acetonylacetone and 200g in *C6H6. [Young & Arch Inorg Synth II 122 1964, Beilstein 1 H 782, 1 II 835, 1 III 3121, 1 IV 3672.]
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-40-36/37/38-20/21/22-63
[Safety Statements ]

22-24/25-36/37-26-7
[WGK Germany ]

3
[RTECS ]

ZH9280000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29141900
[Storage Class]

4.1B - Flammable solid hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Flam. Sol. 1
[Safety Profile]

Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes. Used as a cross-linking agent for oxygen-containing polymers. See also ZIRCONIUM COMPOUNDS
[Toxicity]

LD50 orally in Rabbit: 719 mg/kg
Spectrum DetailBack Directory
[Spectrum Detail]

ZIRCONIUM(IV) ACETYLACETONATE(17501-44-9)MS
ZIRCONIUM(IV) ACETYLACETONATE(17501-44-9)IR1
ZIRCONIUM(IV) ACETYLACETONATE(17501-44-9)IR2
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