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Merck

8.41799

Calcium hypochlorite

for synthesis

Synonym(s):

Calcium hypochlorite

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About This Item

Linear Formula:
Ca(OCl)2
CAS Number:
7778-54-3
Molecular Weight:
142.98
UNSPSC Code:
12352302
EC Index Number:
231-908-7
NACRES:
NA.22
MDL number:
MFCD00010900
Grade:
synthesis grade

Key Documents

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Product Name

Calcium hypochlorite, for synthesis

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

grade

synthesis grade

Quality Level

200

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

Related Categories

Analysis Note

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

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.

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.

signalword

Danger

Hazard Classifications

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

supp_hazards

EUH031

Storage Class

5.1A - Strongly oxidizing hazardous materials

wgk

WGK 2

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)
Simplified Procedure for TEMPO-Catalyzed Oxidation: Selective Oxidation of Alcohols, α-Hydroxy Esters, and Amides Using TEMPO and Calcium Hypochlorite
Reddy SR, et al.
Synthetic Communications, 42(23), 3493-3503 (2012)
Epoxidation of vinyl cyanides by calcium hypochlorite under catalyst-and solvent-free conditions
Mirhashemi F and Amrollahi MA
Tetrahedron Letters, 59(27), 2661-2663 (2018)
View All Related Papers

Global Trade Item Number

SKUGTIN
8.41799.010004022536667102
8.41799.050004022536740560

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