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| CAS No.: | 17501-44-9 |
|---|---|
| Name: | ZIRCONIUM(IV) ACETYLACETONATE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C20H28 O8 Zr |
| Molecular Weight: | 487.662 |
| Synonyms: | 2,4-Pentanedione,Zr deriv. (6CI); Zirconium, tetrakis(2,4-pentanedionato)- (8CI); Zirconium,tetrakis(2,4-pentanedionato-O,O')-, (SA-8-11''11''1'1'''1'1''')-; Zirconium,tetrakis(2,4-pentanedionato-kO,kO')-,(SA-8-11''11''1'1'''1'1''')- (9CI); AC 150; AKZ 970; NSC 148120; NSC 4660;Nacem Zirconium; Orgatix ZC 150; Plenact ZR 181; Tetraacetylacetonatezirconium; Tetrakis(2,4-pentanedionato)zirconium;Tetrakis(acetylacetonato)zirconium; Tetrakis(acetylacetonato)zirconium(IV); X1044; ZC 150; ZR 181; Zirconium acetylacetonate; Zirconiumtetraacetylacetonate; Zirconium tetrakis(2,4-pentanedionate); Zirconiumtetrakis(acetylacetonate); Zirconium(IV) acetylacetonate |
| EINECS: | 241-510-5 |
| Density: | g/cm3 |
| Melting Point: | 191 - 195 C |
| Boiling Point: | 187.6 °C at 760 mmHg |
| Flash Point: | 71.9 °C |
| Solubility: |
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| Appearance: | pale yellow to brown powder |
| Hazard Symbols: | UN NO. |
| Risk Codes: | 22 |
| Safety: | 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. |
| Transport Information: | 50kgs |
| PSA: | 136.56000 |
| LogP: | 2.21800 |
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Chemistry
Molecular Structure of Zirconium acetylacetonate (CAS NO.17501-44-9):
EINECS: 241-510-5
IUPAC Name: (Z)-4-Oxopent-2-en-2-olate; zirconium(4+)
Molecular Formula: C20H28O8Zr
Molecular Weight: 487.655520 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 8
Canonical SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Zr+4]
Isomeric SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Zr+4]
InChI: 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
Flash Point: 71.9 °C
Enthalpy of Vaporization: 49.32 kJ/mol
Boiling Point: 187.6 °C at 760 mmHg
Vapour Pressure: 0.174 mmHg at 25 °C
Melting Point: 191-195 °C
Toxicity Data With Reference
| 1. | ipr-mus LDLo:316 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD441-640 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of Zirconium acetylacetonate (CAS NO.17501-44-9):
Hazard Codes: Xn 
Risk Statements: 22-40-36/37/38-20/21/22
R22:Harmful if swallowed
R40:Limited evidence of a carcinogenic effect
R36/37/38:Irritating to eyes, respiratory system and skin
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 22-24/25
S22:Do not breathe dust
S24/25:Avoid contact with skin and eyes
WGK Germany: 3
RTECS: ZH9280000
TSCA: Yes
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.
Standards and Recommendations
OSHA PEL: TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3
ACGIH TLV: TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3; Not Classifiable as a Human Carcinogen
DFG MAK: 1 mg(Zr)/m3
Specification
Zirconium acetylacetonate with CAS Registry Number of 17501-44-9 is also known as 2,4-Pentanedione, Zr deriv. (6CI) ; 2,4-Pentanedione, zirconium complex ; AC 150 ; AI3-61036 ; NSC 148120 ; NSC 4660 ; Nasemu Zirconium ; Orgatix ZC 150 ; Tetraacetylacetonate zirconium ; Tetrakis(2,4-pentanedionato)zirconium ; Tetrakis(acetylacetonato)zirconium ; Tetrakis(acetylacetonyl)zirconium ; Zirconium tetraacetylacetonate ; Zirconium tetrakis(acetylacetonate) ; Zirconium(IV) acetylacetonate ; Zirconium, acetyl-, acetonate ; Zirconium, tetrakis(2,4-pentanedionato-kappaO,kappaO')-, (SA-8-11''11''1'1'''1'1''')- ; Zirconium, tetrakis(acetylacetonato)- ; Tetrakis(pentane-2,4-dionato-O,O')zirconium ; Zirconium, tetrakis(2,4-pentanedionato)- (8CI) ; Zirconium, tetrakis(2,4-pentanedionato-O,O')- ; Zirconium, tetrakis(2,4-pentanedionato-O,O')-, (SA-8-11''11''1'1'''1'1''')- ; Zirconium, tetrakis(2,4-pentanedionato-kappaO2,kappaO4)-, (SA-8-11''11''1'1'''1'1''')- . It is used as metal catalyst.