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Merck
CN

35840

Methyl dichloroacetate

≥99%

Synonym(s):

Dichloroacetic acid methyl ester, NSC 2882

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About This Item

Linear Formula:
Cl2CHCOOCH3
CAS Number:
116-54-1
Molecular Weight:
142.97
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24861975
EC Number:
204-146-8
Beilstein/REAXYS Number:
1747542
MDL number:
MFCD00000843
Assay:
≥99%
Form:
liquid

Key Documents

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InChI key

HKMLRUAPIDAGIE-UHFFFAOYSA-N

InChI

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

SMILES string

COC(=O)C(Cl)Cl

assay

≥99%

form

liquid

refractive index

n20/D 1.442 (lit.)

bp

143 °C (lit.)

mp

−52 °C (lit.)

density

1.381 g/mL at 25 °C (lit.)

functional group

chloro, ester

Quality Level

100

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General description

Methyl dichloroacetate undergoes base-catalyzed condensation with aliphatic α-haloaldehydes. Chlorination of methyl dichloroacetate by using trifluoromethanesulfonyl chloride has been reported.

Application

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
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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

147.2 °F - closed cup

flash_point_c

64 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB2154
STBL4238
BCCF1614
BCBW4777
BCBS8181V

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Synthesis of telechelic polyacrylates with unsaturated end-groups.
Bielawski CW, et al.
Polymer, 44(13), 3721-3726 (2003)
The Base-catalyzed Condensation of a-Haloaldehydes with Dichloroacetates.
Takeda A, et al.
Bulletin of the Chemical Society of Japan, 45(4), 1217-1220 (1972)
Diastereoselective cyclopropanation of cyclic enones with methyl dichloroacetate anion.
Escribano A, et al.
Tetrahedron, 57(46), 9423-9427 (2001)
A highly stereospecific synthesis of (E)-a, ?-unsaturated esters.
Barma DK, et al.
Tetrahedron Letters, 45(30), 5917-5920 (2004)
Trifluoromethanesulfonyl chloride, a mild chlorinating agent.
Hosein Hakimelahi G and Just G.
Tetrahedron Letters, 20(38), 3643-3644 (1979)
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