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23519-77-9

23519-77-9 Structure

23519-77-9 Structure
IdentificationMore
[Name]

ZIRCONIUM N-PROPOXIDE
[CAS]

23519-77-9
[Synonyms]

N-PROPYL ZIRCONATE
TETRA-N-PROPYL ZIRCONATE
TETRAPROPYL ZIRCONATE
ZIRCONIUM(IV) N-PROPOXIDE
ZIRCONIUM(IV) PROPOXIDE
ZIRCONIUM N-PROPOXIDE
ZIRCONIUM TETRA-N-PROPOXIDE
1-Propanol,zirconium(4+)salt
1-propanol,zirconium(4++)salt
Propylalcohol,zirconium(4+)salt
Zirconium(IV) propoxide solution
Zirconium n-propoxide (23-28% free alcohol)
Zirconium propoxide
zirconium tetrapropanolate
Zirconium(IV) n-propoxide (23-28% free alcohol)
Zirconiumnpropoxidefreealcohol
Zirconiumpropoxideinpropanol
ZIRCONIUM(IV) PROPOXIDE SOLUTION, ~70% I N PROPANOL
ZIRCONIUM(IV) PROPOXIDE, 70 WT. % SOLUTI ON IN 1-PROPANOL
70%w/winn-propanol
[EINECS(EC#)]

245-711-9
[Molecular Formula]

C12H28O4Zr
[MDL Number]

MFCD00015307
[Molecular Weight]

327.57
[MOL File]

23519-77-9.mol
Chemical PropertiesBack Directory
[Appearance]

slightly viscous colorless to pale yellow solution
[Melting point ]

-55.00°C
[Boiling point ]

208 °C0.1 mm Hg
[density ]

1.058 g/mL at 20 °C
[vapor pressure ]

19.4hPa at 20℃
[refractive index ]

n20/D 1.454
[Fp ]

83 °F
[form ]

Slightly Viscous Solution
[color ]

Colorless to yellow to light amber
[Specific Gravity]

1.05
[Water Solubility ]

Not miscible in water.
[Hydrolytic Sensitivity]

7: reacts slowly with moisture/water
[Sensitive ]

Moisture Sensitive
[BRN ]

3679533
[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/4C3H7O.Zr/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4
[InChIKey]

XPGAWFIWCWKDDL-UHFFFAOYSA-N
[SMILES]

CCCO[Zr](OCCC)(OCCC)OCCC
[LogP]

0.34 at 20℃
[CAS DataBase Reference]

23519-77-9(CAS DataBase Reference)
[EPA Substance Registry System]

1-Propanol, zirconium(4+) salt (23519-77-9)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Exclamation Mark (GHS07)
GHS02,GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H226-H318-H336
[Precautionary statements ]

P210-P233-P240-P241-P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R41:Risk of serious damage to eyes.
R67:Vapors may cause drowsiness and dizziness.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

1
[F ]

10-21
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29310099
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Dam. 1
Flam. Liq. 3
STOT SE 3
Hazard InformationBack Directory
[General Description]

A yellow-colored liquid with an alcohol-like odor. Has about the same density as water and is insoluble in water. Flash point below 141°F. Vapors are heavier than air. May be irritating to skin, eyes, and mucous membranes.
[Reactivity Profile]

Organometallics, such as TETRA-N-PROPYL ZIRCONATE, are reactive with many other groups. Incompatible with acids and bases. Organometallics are good reducing agents and therefore incompatible with oxidizing agents. Often reactive with water to generate toxic or flammable gases.
[Air & Water Reactions]

Flammable. Insoluble in water.
[Health Hazard]

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
[Chemical Properties]

slightly viscous colorless to pale yellow solution
[Uses]

Zirconium(IV) n-propoxide is used as a precursor in the production of zirconia. It is also used to study the thermophysical properties like thermal conductivity and thermal effusivity of hybrid films and thereby adjusting optic properties of the films.
[reaction suitability]

core: zirconium
reagent type: catalyst
[Purification Methods]

Although it was reported that it could not be crystallised or sublimed even at 150o/10-4mm [Bradley & Wardlaw J Chem Soc 280 1951], the propoxide, when properly prepared, has been purifed by distillation in a high vacuum [Bradley et al. J Chem Soc 2025 1953]. [Beilstein 1 IV 1420.]
Spectrum DetailBack Directory
[Spectrum Detail]

ZIRCONIUM N-PROPOXIDE(23519-77-9)1HNMR
ZIRCONIUM N-PROPOXIDE(23519-77-9)IR1
ZIRCONIUM N-PROPOXIDE(23519-77-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Zirconium(IV) n-propoxide, 70% w/w in n-propanol, packaged under Argon in resealable ChemSeal™ bottles(23519-77-9)
[Sigma Aldrich]

23519-77-9(sigmaaldrich)
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