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Key Documents

108405

Sigma-Aldrich

Methyl dichloroacetate

≥99%

Synonym(s):

Dichloroacetic acid methyl ester, NSC 2882

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About This Item

Linear Formula:
Cl2CHCOOCH3
CAS Number:
Molecular Weight:
142.97
Beilstein:
1747542
EC Number:
MDL number:
UNSPSC Code:
12352103

Assay

≥99%

refractive index

n20/D 1.442 (lit.)

bp

143 °C (lit.)

mp

−52 °C (lit.)

density

1.381 g/mL at 25 °C (lit.)

SMILES string

COC(=O)C(Cl)Cl

InChI

1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3

InChI key

HKMLRUAPIDAGIE-UHFFFAOYSA-N

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Application

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
  • Addition reactions for syntehsis of enantiopure 3,4-diamino esters or amides

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