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10035-05-9

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Basic Information
CAS No.: 10035-05-9
Name: Calcium chlorate dihydrate
Molecular Structure:
Molecular Structure of 10035-05-9 (Calcium chlorate dihydrate)
Formula: CaCl2H4O8
Molecular Weight: 243.01096
Synonyms: Calciumchlorate (Ca(ClO3)2) dihydrate;Calcium chlorate dihydrate;
EINECS: 233-378-2
Density: 2.711
Melting Point: 100° when rapidly heated
Solubility: g/100g solution H2O: 63.0 (0.5°C), 66.0 (25°C), 78.0 (93°C); solid phase, Ca(ClO3)2 ·2H2O (25°C), Ca(ClO3)2 (93.0°C) [KRU93]
PSA: 132.86000
LogP: 0.53760
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Specification

The Chloric acid, calciumsalt, dihydrate (8CI,9CI), also known as Calcium chlorate dihydrate, is an organic compound with the formula CaCl2H4O8. With the CAS registry number 10035-05-9, its IUPAC name is calcium dichlorate dihydrate. What's more, this chemical's classification codes are Agricultural Chemical; Germicide, Bactericide, Disinfectant; Herbicide; Insecticide.

Physical properties of Chloric acid, calciumsalt, dihydrate (8CI,9CI): (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 8; (3)Rotatable Bond Count: 0; (4)Exact Mass: 241.890914; (5)MonoIsotopic Mass: 241.890914; (6)Topological Polar Surface Area: 116; (7)Heavy Atom Count: 11; (8)Formal Charge: 0; (9)Complexity: 36.5; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 5.

Preparation: this chemical can be prepared by Ca(OH)2 and Cl2.

6Ca(OH)2 + 6Cl2 → Ca(ClO3)2.2H2O + 5CaCl2 + 4H2O

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O.O.[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ca+2]
(2)InChI: InChI=1S/Ca.2ClHO3.2H2O/c;2*2-1(3)4;;/h;2*(H,2,3,4);2*1H2/q+2;;;;/p-2
(3)InChIKey: OSILKTNFXJYZTB-UHFFFAOYSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4500mg/kg (4500mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 252, 1989.