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Merck
CN

8.41799

Calcium hypochlorite

for synthesis

Synonym(s):

Calcium hypochlorite

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About This Item

Linear Formula:
Ca(OCl)2
CAS Number:
Molecular Weight:
142.98
UNSPSC Code:
12352302
EC Index Number:
231-908-7
NACRES:
NA.22
MDL number:
Grade:
synthesis grade
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grade

synthesis grade

Quality Level

potency

850 mg/kg LD50, oral (Rat), >2000 mg/kg LD50, skin (Rabbit)

mp

100 °C

density

2.35 g/cm3 at 20 °C

storage temp.

15-25°C

SMILES string

[Ca+2].Cl[O-].Cl[O-]

InChI

1S/Ca.2ClO/c;2*1-2/q+2;2*-1

InChI key

ZKQDCIXGCQPQNV-UHFFFAOYSA-N

General description

Calcium hypochlorite [Ca(OCl)2] is a stable oxidizing agent used for the conversion of ethers to esters; thioethers to sulfoxides; aldehydes to acids and alkenes to chlorohydrins. It is also used in the C-C bond cleavage and chlorination reactions.

Application

Calcium hypochlorite can be used as an oxidative agent:
  • In the epoxidation of various alkene derivatives.
  • To synthesize α-arylamino-α′-chloropropan-2-ones from various trifluoroacetyl-protected N-(2-chloroallyl)anilines via oxidative hydrolysis.
  • To convert 1o & 2o alcohols, α-hydroxyamides, and α-hydroxyesters to their corresponding aldehydes, ketones, α-ketoamides, and α-ketoesters in the presence of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) as a catalyst.
  • To prepare dihydrotriazolediones and bis-dihydrotriazolediones by oxidation of urazoles and bis-urazoles.

Analysis Note

Assay (iodometric): 67.0 - 75.0 %
Identity: passes test


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Storage Class

5.1B - Oxidizing hazardous materials

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Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Eye Dam. 1 - Ox. Sol. 2 - Skin Corr. 1B

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Regulatory Information

危险化学品

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Certificates of Analysis (COA)

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Highly Efficient Synthesis of New α-Arylamino-α?-chloropropan-2-ones via Oxidative Hydrolysis of Vinyl Chlorides Promoted by Calcium Hypochlorite
Pace Vittorio, et al.
advanced synthesis and catalysis, 351(18), 3199-3206 (2009)
Calcium Hypochlorite
Keehn PM and Nwaukwa SO
eEROS (Encyclopedia of Reagents for Organic Synthesis) (2001)
Calcium hypochlorite as an efficient reagent for oxidation of urazoles under mild heterogeneous conditions
Zolfigol MA, et al.
Russ. J. Org. Chem., 40(6), 914-916 (2004)



Global Trade Item Number

SKUGTIN
841799010004022536667102
841799050004022536740560