Product Name

  • Name

    Zirconyl chloride octahydrate

  • EINECS 231-717-9
  • CAS No. 13520-92-8
  • Density 1.91 g/cm3
  • Solubility soluble in water
  • Melting Point 400 °C (dec.)
  • Formula ZrOCl2.8(H2O)
  • Boiling Point 210°C
  • Molecular Weight 322.252
  • Flash Point
  • Transport Information
  • Appearance solid
  • Safety 26-36/37/39-45-27
  • Risk Codes 34-22
  • Molecular Structure Molecular Structure of 13520-92-8 (Zirconyl chloride octahydrate)
  • Hazard Symbols CorrosiveC
  • Synonyms Dichlorooxozirconiumoctahydrate;Zirconium chloride oxide (ZrCl2O) octahydrate;Zirconium chlorideoxide, octahydrate;Zirconium dichloride monoxide octahydrate;Zirconiumdichloride oxide octahydrate;Zirconium monoxide dichloride octahydrate;Zirconium oxy dichloride octahydrate;Zirconium oxychloride octahydrate (ZrOCl2.8H2O);
  • PSA 90.91000
  • LogP 0.74580

Synthetic route

hydrogenchloride
7647-01-0

hydrogenchloride

zirconium(IV) carbonate

zirconium(IV) carbonate

ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

Conditions
ConditionsYield
In hydrogenchloride byproducts: CO2; Zr(CO3)2 dissolved in concd. HCl, refluxed for 1 h; cooled, filtered, washed with cold concd. HCl, recrystd. from aq. HCl, air dried;
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

dimethyl methane phosphonate
756-79-6

dimethyl methane phosphonate

zirconium bis(methylphosphonate)

zirconium bis(methylphosphonate)

Conditions
ConditionsYield
With aq. HCl In water reflux (24 h or 112 h); aq. HBr or H2O alone may also be used; filtration, washing (H2O; acetone), drying (40°C, 18 h, then 200°C, 24 h); elem. anal.;99%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

ethanesulfonic acid
594-45-6

ethanesulfonic acid

zirconium acetate hydroxide

zirconium acetate hydroxide

water
7732-18-5

water

C2H3O2(1-)*Zr(4+)*0.8H2O*0.9O(2-)*0.2C2H5O3S(1-)*HO(1-)

C2H3O2(1-)*Zr(4+)*0.8H2O*0.9O(2-)*0.2C2H5O3S(1-)*HO(1-)

Conditions
ConditionsYield
In water95%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

ethanesulfonic acid
594-45-6

ethanesulfonic acid

zirconium acetate hydroxide

zirconium acetate hydroxide

water
7732-18-5

water

C2H3O2(1-)*Zr(4+)*0.5H2O*1.25O(2-)*0.5C2H5O3S(1-)

C2H3O2(1-)*Zr(4+)*0.5H2O*1.25O(2-)*0.5C2H5O3S(1-)

Conditions
ConditionsYield
In water95%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

ethanesulfonic acid
594-45-6

ethanesulfonic acid

zirconium acetate hydroxide

zirconium acetate hydroxide

water
7732-18-5

water

0.6C2H3O2(1-)*Zr(4+)*2H2O*1.3O(2-)*0.8C2H5O3S(1-)

0.6C2H3O2(1-)*Zr(4+)*2H2O*1.3O(2-)*0.8C2H5O3S(1-)

Conditions
ConditionsYield
In water95%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

ethanesulfonic acid
594-45-6

ethanesulfonic acid

zirconium acetate hydroxide

zirconium acetate hydroxide

water
7732-18-5

water

0.4C2H3O2(1-)*Zr(4+)*2.2H2O*0.9O(2-)*1.8C2H5O3S(1-)

0.4C2H3O2(1-)*Zr(4+)*2.2H2O*0.9O(2-)*1.8C2H5O3S(1-)

Conditions
ConditionsYield
In water95%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

ethanesulfonic acid
594-45-6

ethanesulfonic acid

zirconium acetate hydroxide

zirconium acetate hydroxide

water
7732-18-5

water

Zr(4+)*3H2O*0.6O(2-)*2.8C2H5O3S(1-)

Zr(4+)*3H2O*0.6O(2-)*2.8C2H5O3S(1-)

Conditions
ConditionsYield
In water95%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

sodium tungstate (VI) dihydrate
10213-10-2

sodium tungstate (VI) dihydrate

ZrW2O7((OH)1.5Cl0.5)*2H2O

ZrW2O7((OH)1.5Cl0.5)*2H2O

Conditions
ConditionsYield
With hydrogenchloride In water at 160℃; Autoclave;95%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

Acetylenedicarboxylic acid
142-45-0

Acetylenedicarboxylic acid

Zr6O4(OH)4(12+)*6C4O4(2-)

Zr6O4(OH)4(12+)*6C4O4(2-)

Conditions
ConditionsYield
Stage #1: ziconium(IV) oxychloride octahydrate; Acetylenedicarboxylic acid With acetic acid In N,N-dimethyl-formamide Sonication;
Stage #2: In N,N-dimethyl-formamide at 85℃; for 6h; Sealed tube;
94%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

Acetylenedicarboxylic acid
142-45-0

Acetylenedicarboxylic acid

Zr6O4(OH)4(12+)*6C4HClO4(2-)

Zr6O4(OH)4(12+)*6C4HClO4(2-)

Conditions
ConditionsYield
Stage #1: ziconium(IV) oxychloride octahydrate; Acetylenedicarboxylic acid With acetic acid In water; N,N-dimethyl-formamide for 0.0333333h; Sonication;
Stage #2: at 85℃; for 6h; Sealed tube;
94%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

ammonium fluoride
12125-01-8

ammonium fluoride

potassium fluoride

potassium fluoride

potassium oleate

potassium oleate

A

potassium zirconium heptafluoride

potassium zirconium heptafluoride

B

potassium chloride

potassium chloride

Conditions
ConditionsYield
Stage #1: ziconium(IV) oxychloride octahydrate; potassium oleate With Elaidic Acid; oleylamine at 20℃; for 2h;
Stage #2: ammonium fluoride; potassium fluoride In water at 50 - 200℃; for 12.5h; Reagent/catalyst; Autoclave;
A 89.4%
B n/a
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

ammonium fluoride
12125-01-8

ammonium fluoride

potassium fluoride

potassium fluoride

potassium oleate

potassium oleate

potassium zirconium heptafluoride

potassium zirconium heptafluoride

Conditions
ConditionsYield
Stage #1: ziconium(IV) oxychloride octahydrate; potassium oleate With Elaidic Acid; oleylamine at 20℃; for 2h;
Stage #2: ammonium fluoride; potassium fluoride In water at 50 - 200℃; for 12.5h; Autoclave;
89.4%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

(2E)-but-2-enedioic acid
110-17-8

(2E)-but-2-enedioic acid

zirconium fumarate

zirconium fumarate

Conditions
ConditionsYield
With acetic acid In water at 85℃; Microwave irradiation; Flow reactor; Green chemistry;88%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

2,4,6-tris[4-(phosphonomethyl)phenyl]-1,3,5-triazine

2,4,6-tris[4-(phosphonomethyl)phenyl]-1,3,5-triazine

water
7732-18-5

water

Zr(H4ttbmp)2*10H2O

Zr(H4ttbmp)2*10H2O

Conditions
ConditionsYield
With hydrogen fluoride In methanol at 80℃; for 48h;86%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

piperidinomethylphosphonic acid
4672-35-9

piperidinomethylphosphonic acid

hydrogen fluoride
7664-39-3

hydrogen fluoride

Zr(4+)*2F(1-)*O3PCH2NC5H10(2-)=ZrF2(O3PCH2NC5H10)

Zr(4+)*2F(1-)*O3PCH2NC5H10(2-)=ZrF2(O3PCH2NC5H10)

Conditions
ConditionsYield
In propan-1-ol; water a soln. piperidine-compound in n-propanol-water was added to a soln. of Zr-compound and HF, maintained in closed plastic vessel at 80°C for 3 days; ppt. was centrifuged, washed with propanol-water, dried in an oven at 70°C; elem. anal.;85%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

formic acid
64-18-6

formic acid

benzene-1,3,5-tricarboxylic acid
554-95-0

benzene-1,3,5-tricarboxylic acid

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

Zr6O4(12+)*2C9H3O6(3-)*6HO(1-)*2CH2O2*1.5C3H7NO*20H2O

Zr6O4(12+)*2C9H3O6(3-)*6HO(1-)*2CH2O2*1.5C3H7NO*20H2O

Conditions
ConditionsYield
at 130℃; for 0.48h;85%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

1,10-Phenanthroline
66-71-7

1,10-Phenanthroline

salicylaldehyde anthranilic acid
122630-45-9, 150063-91-5, 7361-93-5

salicylaldehyde anthranilic acid

2-[(2-hydroxybenzylidine)amino]benzoic acid 4,5-diazaphenanthrene oxoaquo zirconium chloride dihydrate

2-[(2-hydroxybenzylidine)amino]benzoic acid 4,5-diazaphenanthrene oxoaquo zirconium chloride dihydrate

Conditions
ConditionsYield
In ethanol for 12h; Reflux;84%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

ammonium fluoride
12125-01-8

ammonium fluoride

sodium fluoride

sodium fluoride

sodium oleate
16558-02-4

sodium oleate

3Na(1+)*ZrF7(3-)=Na3ZrF7

3Na(1+)*ZrF7(3-)=Na3ZrF7

Conditions
ConditionsYield
Stage #1: ziconium(IV) oxychloride octahydrate; sodium oleate With Elaidic Acid; oleylamine at 20℃; for 6h;
Stage #2: ammonium fluoride; sodium fluoride In water at 25℃; for 12.5h;
83.1%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

water
7732-18-5

water

1-((3,5-di-tert-butyl-2-hydroxybenzylidene)amino)naphthalen-2-ol-5‑sodium sulfonate

1-((3,5-di-tert-butyl-2-hydroxybenzylidene)amino)naphthalen-2-ol-5‑sodium sulfonate

C25H30NO8SZr(1-)*Na(1+)

C25H30NO8SZr(1-)*Na(1+)

Conditions
ConditionsYield
at 80℃; for 3h;82%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

benzene-1,3,5-tricarboxylic acid
554-95-0

benzene-1,3,5-tricarboxylic acid

2C9H3O6(3-)*6H2O*10HO(1-)*Zr6O4(16+)

2C9H3O6(3-)*6H2O*10HO(1-)*Zr6O4(16+)

Conditions
ConditionsYield
With acetic acid In water at 95℃; for 5h; Microwave irradiation; Green chemistry; Large scale;81%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

carbamazepin
298-46-4

carbamazepin

[ZrO(carbamazepine)2(H2O)]Cl2*8H2O

[ZrO(carbamazepine)2(H2O)]Cl2*8H2O

Conditions
ConditionsYield
In ethanol for 3h; Reflux;79.8%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(tetrahydro-1H-pyrrolo[3,4-b]pyridin)-6(2H,7H,7aH)-yl-1,4-dihydroquionoline-3-carboxylicacid

1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(tetrahydro-1H-pyrrolo[3,4-b]pyridin)-6(2H,7H,7aH)-yl-1,4-dihydroquionoline-3-carboxylicacid

water
7732-18-5

water

[ZrO(moxifloxacin)2Cl]Cl*15H2O

[ZrO(moxifloxacin)2Cl]Cl*15H2O

Conditions
ConditionsYield
In methanol methanolic soln. of ZrOCl2*8H2O was added to moxifloxacin in methanol, stirred at room temp. for 22 h; slow evapn., ppt. was filtered off, washed with bidistilled water several times, dried over CaCl2 in desecrator, ppt. was filtered off, dried invac. over CaCl2; elem. anal.;78.34%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

6,6′-((1E,1′E)-((4-chloro-1,2-phenylene)bis(azaneylylidene))bis(methaneylylidene))bis(2-ethoxy phenol)

6,6′-((1E,1′E)-((4-chloro-1,2-phenylene)bis(azaneylylidene))bis(methaneylylidene))bis(2-ethoxy phenol)

C24H21ClN2O5Zr*2H2O

C24H21ClN2O5Zr*2H2O

Conditions
ConditionsYield
In ethanol at 70℃; for 3h;74%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

(3E)-2-(hydroxyimino)-N-p-tolyl-3-(p-tolylimino)butanamide
1426080-33-2

(3E)-2-(hydroxyimino)-N-p-tolyl-3-(p-tolylimino)butanamide

C18H20Cl2N3O4Zr*H2O

C18H20Cl2N3O4Zr*H2O

Conditions
ConditionsYield
In ethanol; N,N-dimethyl acetamide Reflux;73%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

1,3,5-triamino-1,3,5-trideoxy-cis-inositol-tri-N,N',N"-propionic acid trihydrochloride

1,3,5-triamino-1,3,5-trideoxy-cis-inositol-tri-N,N',N"-propionic acid trihydrochloride

water
7732-18-5

water

bis[μ3-3,3',3''-({[1R-(1α,2α,3α,4α,5α,6α)]-2,4,6-trihydroxylato-1κ2O2O6, 2κ2O2O6,2κ2O2O4,3κ2O4O6-cyclohexane-1,3,5-triyl}triimino-1κN1,2κN3,3κN5)tripropanoato-1κO,2κO',3κO'']trizirconium(IV) pentadecahydrate

bis[μ3-3,3',3''-({[1R-(1α,2α,3α,4α,5α,6α)]-2,4,6-trihydroxylato-1κ2O2O6, 2κ2O2O6,2κ2O2O4,3κ2O4O6-cyclohexane-1,3,5-triyl}triimino-1κN1,2κN3,3κN5)tripropanoato-1κO,2κO',3κO'']trizirconium(IV) pentadecahydrate

Conditions
ConditionsYield
With sodium hydroxide for 72h; pH=3.5; Reflux;72%
With sodium hydroxide for 72h; pH=3.5; Reflux;72%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

formic acid
64-18-6

formic acid

4,4',4'',4'''-((4,4',4'',4'''-(porphyrin-5,10,15,20-tetrayl)tetrakis(benzoyl))tetrakis(azanediyl))tetrabenzoic acid

4,4',4'',4'''-((4,4',4'',4'''-(porphyrin-5,10,15,20-tetrayl)tetrakis(benzoyl))tetrakis(azanediyl))tetrabenzoic acid

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

[Zr6(μ3-O)4(μ3-OH)4(OH)4(H2O)4](L)2*12H2O*45(N,N-dimethylformamide)*33HCOOH

[Zr6(μ3-O)4(μ3-OH)4(OH)4(H2O)4](L)2*12H2O*45(N,N-dimethylformamide)*33HCOOH

Conditions
ConditionsYield
at 120℃; for 48h; Autoclave;72%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

N-phosphonoethyl-4-carboxypyridinium chloride
1401997-94-1

N-phosphonoethyl-4-carboxypyridinium chloride

hydrogen fluoride
7664-39-3

hydrogen fluoride

C8H9F3NO5PZr
1401997-91-8

C8H9F3NO5PZr

Conditions
ConditionsYield
at 80℃; for 72h;71%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

Thiophene-2,5-dicarboxylic acid
4282-31-9

Thiophene-2,5-dicarboxylic acid

4C6H2O4S(2-)*4H2O*8HO(1-)*Zr6O4(16+)

4C6H2O4S(2-)*4H2O*8HO(1-)*Zr6O4(16+)

Conditions
ConditionsYield
With acetic acid In water at 95℃; for 1h; Microwave irradiation; Green chemistry; Large scale;70%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

formic acid
64-18-6

formic acid

benzene-1,3,5-tricarboxylic acid
554-95-0

benzene-1,3,5-tricarboxylic acid

water
7732-18-5

water

Zr-MOF-808

Zr-MOF-808

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 100℃; for 48h; Inert atmosphere; Schlenk technique;70%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

Na3[α-PW12O40]*11H2O

Na3[α-PW12O40]*11H2O

diethyl amine hydrochloride
660-68-4

diethyl amine hydrochloride

(Et2NH2)8[(α-PW11O39Zr(μ-OH)(H2O))2]

(Et2NH2)8[(α-PW11O39Zr(μ-OH)(H2O))2]

Conditions
ConditionsYield
With Na2CO3; HCl In water to a soln. of polyoxotungstate in water was added Na2CO3, stirred for 20min., ZrCl2O*8H2O was added, stirred for 5 min, 1 M aq. HCl was added f or 1 min, stirred for 15 min, a soln. of Hf-compound in aq. HCl was added, stirred for 30 min; passed through a folded filter paper, evapd. at 40°C, stirred for1 min in a water bath at more than 90°C, (C2H5)2NH2Cl was added, stirred for 5 min, cooled to roomtemp., filtered, washed with C2H5OH, d ried in vac. for 2 h; elem. anal.;69.7%
ziconium(IV) oxychloride octahydrate
13520-92-8

ziconium(IV) oxychloride octahydrate

N-(phosphonemethyl)glycine
1071-83-6

N-(phosphonemethyl)glycine

hydrogen fluoride
7664-39-3

hydrogen fluoride

Zr(4+)*F(1-)*2C3H5NO5P(3-)*3H(1+)

Zr(4+)*F(1-)*2C3H5NO5P(3-)*3H(1+)

Conditions
ConditionsYield
at 80℃; for 48h; pH=2.17;68%

Zirconyl chloride octahydrate 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

Zirconyl chloride octahydrate Specification

The Zirconyl chloride oxide octahydrate is an organic compound with the formula ZrOCl2.8(H2O). The IUPAC name of this chemical is oxozirconium octahydrate dihydrochloride. With the CAS registry number 13520-92-8, it is also named as Zirconium oxychloride octahydrate. The product's classification codes are Mutation data; Tumor data. Besides, it should be stored in a dry and well-ventilated place. It is used to manufacture zirconia. It is also used as rubber additives, paint drying, refractories, ceramics, glaze, and fiber treatment agent. It is widely used in rubber additives, paint driers, refractory and ceramic glaze.

Physical properties about Zirconyl chloride oxide octahydrate are: (1)#H bond acceptors: 1; (2)Polar Surface Area: 17.07 Å2.

Preparation: this chemical can be prepared by zircon and caustic soda. This reaction will need reagent sulfuric acid, ammonia, hydrochloric acid.
ZrSiO3+4NaOH→Na2ZrO3+NazSiO3+2H2O
Na2ZrO3+3H2SO4→Zr(SO4)2+Na2SO4+3H2O
Zr(SO4)2+4NH3.H2O→Zr(OH)4↓+2(NH4)2SO4
Zr(OH)4+2HCl+5H2O→ZrOCl2.8(H2O)

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Please take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=[Zr].Cl.Cl.O.O.O.O.O.O.O.O
(2)InChI: InChI=1/2ClH.8H2O.O.Zr/h2*1H;8*1H2;;/r2ClH.OZr.8H2O/c;;1-2;;;;;;;;/h2*1H;;8*1H2
(3)InChIKey: FUBACIUATZGHAC-FUJGLDTFAK
(4)Std. InChI: InChI=1S/2ClH.8H2O.O.Zr/h2*1H;8*1H2;;
(5)Std. InChIKey: FUBACIUATZGHAC-UHFFFAOYSA-N

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