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Methyl dichloroacetate, 99%

Catalog No. AAB2439922
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Catalog No. AAB2439922 Supplier Thermo Scientific Chemicals Supplier No. B2439922
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CAS: 116-54-1 | C3H4Cl2O2 | 142.963 g/mol

Methyl dichloroacetate may be used in the diastereoselctive synthesis of bicyclic chlorocyclopropane, as difunctional initiator during atom transfer radical polymerization of methyl or n-butyl acrylate, as reagent during CrCl2-induced olefination of aldehydes. It is a reactant involved in nucleophilic substitution reactions with nitro(pentafluorosulfanyl)benzenes, azide-alkyl halide cycloaddition and atom transfer radical addition, Chemical modification of STn antigen for enhancement of synthetic carbohydrate vaccines, three component reaction of arynes with cyclic ethers and active methines, catalytic radical haloalkylation for synthesis of neodysidenin and addition reactions for syntehsis of enantiopure 3,4-diamino esters or amides.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Methyl dichloroacetate may be used in the diastereoselctive synthesis of bicyclic chlorocyclopropane, as difunctional initiator during atom transfer radical polymerization of methyl or n-butyl acrylate, as reagent during CrCl2-induced olefination of aldehydes. It is a reactant involved in nucleophilic substitution reactions with nitro(pentafluorosulfanyl)benzenes, azide-alkyl halide cycloaddition and atom transfer radical addition, Chemical modification of STn antigen for enhancement of synthetic carbohydrate vaccines, three component reaction of arynes with cyclic ethers and active methines, catalytic radical haloalkylation for synthesis of neodysidenin and addition reactions for syntehsis of enantiopure 3,4-diamino esters or amides.

Solubility
Soluble in water. (4 g/L).

Notes
Store at room temperature. Incompatible with oxidizing agents. Ensure proper ventilation.

Chemical Identifiers

CAS 116-54-1
Molecular Formula C3H4Cl2O2
Molecular Weight (g/mol) 142.963
MDL Number MFCD00000843
InChI Key HKMLRUAPIDAGIE-UHFFFAOYSA-N
Synonym methyl dichloroacetate, dichloroacetic acid methyl ester, acetic acid, dichloro-, methyl ester, ccris 7740, acetic acid, 2,2-dichloro-, methyl ester, methyldichloroethanoate, acmc-1brpm, dichloroacetic acid methyl, methyl2,2-dichloroacetate, wln: gygvo1
PubChem CID 8315
IUPAC Name methyl 2,2-dichloroacetate
SMILES COC(=O)C(Cl)Cl

Specifications

Melting Point -52°C
Density 1.38
Boiling Point 142°C to 144°C
Flash Point 70°C (158°F)
Odor Pungent
Refractive Index 1.442
Linear Formula Cl2CHCO2CH3
Quantity 100 g
UN Number UN2299
Solubility Information Soluble in water. (4g/L).
Formula Weight 142.97
Percent Purity 99%
Chemical Name or Material Methyl dichloroacetate
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Hazard Category H227-H315-H319-H335
Hazard Statement GHS H Statement
H331-H227-H315-H319-H335
Toxic if inhaled.
Combustible liquid.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Precautionary Statement P210-P235-P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P370+P378q-P501c
DOTInformation Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: METHYL DICHLOROACETATE
EINECSNumber 204-146-8
RTECSNumber AG6625000
TSCA Yes
Recommended Storage Ambient temperatures

RUO – Research Use Only