35840
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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-146-8
Beilstein/REAXYS Number:
1747542
MDL number:
Assay:
≥99%
Form:
liquid
Quality Level
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
SMILES string
COC(=O)C(Cl)Cl
InChI
1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
InChI key
HKMLRUAPIDAGIE-UHFFFAOYSA-N
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
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signalword
Warning
hcodes
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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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)
Synthesis of telechelic polyacrylates with unsaturated end-groups.
Bielawski CW, et al.
Polymer, 44(13), 3721-3726 (2003)
Diastereoselective cyclopropanation of cyclic enones with methyl dichloroacetate anion.
Escribano A, et al.
Tetrahedron, 57(46), 9423-9427 (2001)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 35840-500ML | 04061831812817 |