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36547

Methyl dichloroacetate

PESTANAL®, analytical standard

Synonym(s):

NSC 2882, Dichloroacetic acid methyl ester

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About This Item

Linear Formula:
Cl2CHCOOCH3
CAS Number:
116-54-1
Molecular Weight:
142.97
EC Number:
204-146-8
UNSPSC Code:
41116107
PubChem Substance ID:
329755390
Beilstein/REAXYS Number:
1747542
MDL number:
MFCD00000843
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grade

analytical standard

Quality Segment

100

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.442 (lit.)

bp

143 °C (lit.)

mp

−52 °C (lit.)

density

1.381 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental

format

neat

SMILES string

COC(=O)C(Cl)Cl

InChI

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

InChI key

HKMLRUAPIDAGIE-UHFFFAOYSA-N

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
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

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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

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Certificates of Analysis (COA)

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