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7778-54-3

Basic Information
CAS No.: 7778-54-3
Name: Calcium hypochlorite
Molecular Structure:
Molecular Structure of 7778-54-3 (Calcium hypochlorite)
Formula: Ca(ClO)2
Molecular Weight: 142.983
Synonyms: Hypochlorousacid, calcium salt (8CI,9CI);B-K Powder;Bleaching powder;Ca(ClO)2;Calcium oxychloride;Caporit;Chemichlon G;Chloride of lime;Chlorinated lime;Chloro lime chemical;Eusol BPC;HTH (bleaching agent);HTHVAN;Lime chloride;Losantin;Nisso Hi-Chlon;Nisso Hi-chlon LC;Perfect PA;Solvox KS;T-Eusol;Granular Calcium Hypochlorite;
EINECS: 231-908-7
Density: 2.35 g/mL at 25 °C(lit.)
Melting Point: 100 °C
Boiling Point: N/A
Flash Point: N/A
Solubility: 200 g/L (20 °C) (dec.) in water
Appearance: white powder with a chlorine-like odour
Hazard Symbols: OxidizingO, CorrosiveC, DangerousN
Risk Codes: 8-22-31-34-50
Safety: 26-36/37/39-45-61
Transport Information: UN 1748 5.1/PG 2
PSA: 18.46000
LogP: 1.24220
Synthetic route

calcium chloride

7778-54-3

calcium hypochlorite

Conditions
ConditionsYield
In water Electrolysis;
In not given Electrolysis;
In water Electrolysis;
In water Electrolysis;

calcium chloride

A

7778-54-3

calcium hypochlorite

B

calcium hydroxide

Conditions
ConditionsYield
In not given Electrolysis; electrolysis of neutral solutions of CaCl2 forms Ca(OH)2 on the cathode and chlorine on the anode which reacts with some Ca(OH)2 to Ca(ClO)2;;
In not given Electrolysis; electrolysis of neutral solutions of CaCl2 forms Ca(OH)2 on the cathode and chlorine on the anode which reacts with some Ca(OH)2 to Ca(ClO)2;;

calcium hydroxide

A

7778-54-3

calcium hypochlorite

B

7732-18-5

water

C

calcium chloride

Conditions
ConditionsYield
With Cl2 In neat (no solvent) effect of Cl2 on Ca(OH)2;; product mixture obtained (chloride of lime);;
With Cl2
7782-50-5

chlorine

calcium oxide

7778-54-3

calcium hypochlorite

Conditions
ConditionsYield
In water byproducts: Ca(OH)2; treatment of CaO with H2O; passing in Cl2 (temp. must not exceed 40°C, cooling); cooling to 25°C when approx. 70% of theoretical amount Cl2 has been taken up; filtration through asbestos-paper, pressing; drying over NaOH in vac.;; dissolution in H2O up to saturation; filtration from insoluble residue; evapn. of the filtrate under diminished pressure until crystallisation of product; crystallisation; product contains approx. 0.5% Ca(OH)2;;
7782-50-5

chlorine

calcium hydroxide

7778-54-3

calcium hypochlorite

Conditions
ConditionsYield
With Ca(ClO)2*3H2O In water passing of Cl2 in a mixture of Ca(OH)2 and H2O at 15°C; the CaCl2-conc. is kept constant at 30% by addition of Ca(OH)2; seeding with crystalls of Ca(ClO)2*3H2O; drying at 65°C;; product contains 75.2% Ca(ClO)2;;
With Ca(ClO)2*3H2O In water passing of Cl2 in a mixture of Ca(OH)2 and H2O at 15°C; the CaCl2-conc. is kept constant at 30% by addition of Ca(OH)2; seeding with crystalls of Ca(ClO)2*3H2O; drying at 65°C;; product contains 75.2% Ca(ClO)2;;
10049-04-4, 25052-55-5

chlorine dioxide

calcium hydroxide

7778-54-3

calcium hypochlorite

Conditions
ConditionsYield
In tetrachloromethane reaction of Cl2O dissolved in CCl4 with dry or suspended Ca(OH)2 at 20 - 50 °C;;
In tetrachloromethane reaction of Cl2O dissolved in CCl4 with dry or suspended Ca(OH)2 at 20 - 50 °C;;
7791-21-1

hypochlorous anhydride

7778-54-3

calcium hypochlorite

Conditions
ConditionsYield
With calcium hydroxide In neat (no solvent) byproducts: H2O;
With Ca(OH)2 In neat (no solvent) byproducts: H2O;
7791-21-1

hypochlorous anhydride

calcium chloride * x H2O

A

7778-54-3

calcium hypochlorite

B

calcium hydroxide

Conditions
ConditionsYield
CaCl2 with various content of water of crystn. is used;;
7791-21-1

hypochlorous anhydride

calcium hydroxide

7778-54-3

calcium hypochlorite

Conditions
ConditionsYield
In neat (no solvent) byproducts: H2O;
reaction of dild. (no medium given) gasous Cl2O with dry or suspended Ca(OH)2 at 150°C;;
reaction of dild. (no medium given) gasous Cl2O with dry or suspended Ca(OH)2 at 150°C;;
7782-50-5

chlorine

calcium oxide

7778-54-3

calcium hypochlorite

Conditions
ConditionsYield
With sodium fluoride In water slaking with salt soln. and chlorinating the mixt.;;
With sodium silicate In water slaking with salt soln. and chlorinating the mixt.;;
With sodium chloride In water slaking with salt soln. and chlorinating the mixt.;;
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Specification

Calcium hypochlorite is a chemical compound with formula Ca(ClO)2. With the cas number 7778-54-3, Calcium hypochlorite is a yellow white solid which has a strong smell of chlorine. It is not highly soluble in water, and is more preferably used in soft to medium-hard water. It has two forms: a dry form and a hydrated form. The hydrated form is safer to handle.It is widely used for water treatment and as a bleaching agent (bleaching powder). This chemical is considered to be relatively stable and has greater available chlorine than sodium hypochlorite (liquid bleach).

Physical properties about Calcium hypochlorite are: (1)ACD/LogP: 0.712; (2)ACD/LogD (pH 5.5): 0.71; (3)ACD/LogD (pH 7.4): 0.48; (4)ACD/BCF (pH 5.5): 2.03; (5)ACD/BCF (pH 7.4): 1.19; (6)#H bond acceptors: 1 ; (7)#H bond donors: 1 ;

Preparation of Calcium hypochlorite: Calcium hypochlorite is manufactured by chlorination of calcium hydroxide [CaOH)2] followed by the separation of the calcium hypochlorite [Ca(OCl)2] through salting out from solution with sodium chloride.
2Ca(OH)2 + 2Cl2 → Ca(OCl)2 + CaCl2 + H2O

Calcium hypochlorite is also manufactured by the formation under refrigeration of the complex salt Ca(OCl)2 NaOCl.NaCl.12H2O, which is prepared by the chlorination of a mixture of sodium hydroxide and calcium hydroxide. The salt is reacted with a chlorinated lime slurry, filtered to remove salt, and dried, resulting finally in a stable product containing 65 to 70% calcium hypochlorite.

Uses of Calcium hypochlorite: 
1. Calcium hypochlorite is used for the disinfection of drinking water or swimming pool water. It is used as a sanitizer in outdoor swimming pools in combination with a cyanuric acid stabilizer, which reduces the loss of chlorine due to ultraviolet radiation. The calcium content hardens the water and tends to clog up some filters; hence, some products containing calcium hypochlorite also contain anti-scaling agents.

2. Calcium hypochlorite is also an ingredient in bleaching powder, used for bleaching cotton and linen. It is also used in bathroom cleaners, household disinfectant sprays, moss and algae removers, and weedkillers.

3. In addition, calcium hypochlorite may be used to manufacture chloroform. Bleaching powder is used also in sugar industry for bleaching sugar cane juice before its crystallization.

When you are using Calcium hypochlorite, please be cautious about it as the following: 
In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
Wear suitable protective clothing, gloves and eye/face protection;
In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
Avoid release to the environment. Refer to special instructions safety data;

You can still convert the following datas into molecular structure:
(1)SMILES:[Ca+2].[O-]Cl.[O-]Cl;
(2)Std. InChI:InChI=1S/Ca.2ClO/c;2*1-2/q+2;2*-1;
(3)Std. InChIKey:ZKQDCIXGCQPQNV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 143mg/kg (143mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: NAUSEA OR VOMITING
Japanese Journal of Toxicology. Vol. 11, Pg. 137, 1998.
rabbit LDLo skin 2gm/kg (2000mg/kg) GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. OTS0570606,
rat LD50 oral 850mg/kg (850mg/kg)