Methyl dichloroacetate, 99%

Description

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.

Specifications

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

• 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: 500 g
• UN Number: UN2299
• Solubility Information: Soluble in water. (4g/L).
• Formula Weight: 142.97
• Percent Purity: 99%
• Chemical Name or Material: Methyl dichloroacetate

Safety and Handling

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

SDS

RUO – Research Use Only