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Zirconium basic carbonate(CAS No. 57219-64-4)

Zirconium basic carbonate Zr2(CO3)(OH)2O2 (cas 57219-64-4) Molecular Structure

57219-64-4 Structure

Identification and Related Records

【Name】
Zirconium basic carbonate
【CAS Registry number】
57219-64-4
【Synonyms】
Basic zirconium carbonate
Zirconium carbonate
Zirconium, (mu-(carbonato(2-)-O:O))dihydroxydioxodi-
Zirconium, (mu-(carbonato(2-)-kappaO:kappaO))dihydroxydioxodi-
(mu-(Carbonato(2-)-O:O))dihydroxydioxodizirconium
【EINECS(EC#)】
260-633-5
【Molecular Formula】
Zr2(CO3)(OH)2O2 (Products with the same molecular formula)
【Molecular Weight】
308.47
【Inchi】
InChI=1/CH2O3.2H2O.2O.2Zr/c2-1(3)4;;;;;;/h(H2,2,3,4);2*1H2;;;;/q;;;;;;+2/p-2/rCH2O3.O2Zr.2H2O.Zr/c2-1(3)4;1-3-2;;;/h(H2,2,3,4);;2*1H2;/q;;;;+2/p-2
【Canonical SMILES】
CC[N+]1=C(C=CC2=C1C=CC(=C2)C)SCC.[I-]
【MOL File】
57219-64-4.mol

Chemical and Physical Properties

【Appearance】
White powder
【Melting Point】
135 oC (dec.)
【Computed Properties】
Molecular Weight:359.26889 [g/mol]
Molecular Formula:C14H18INS
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:3
Exact Mass:359.020463
MonoIsotopic Mass:359.020463
Topological Polar Surface Area:29.2
Heavy Atom Count:17
Formal Charge:0
Complexity:219
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Safety】

WGK Germany: 1

【Specification】

The extinguishing agent of Zirconium basic carbonate (CAS NO.57219-64-4) are dry powder, foam, sand, carbon dioxide, water mist.

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