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Merck
CN

331295

Dichloroacetic anhydride

technical grade, 85%

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About This Item

Linear Formula:
(Cl2CHCO)2O
CAS Number:
4124-30-5
Molecular Weight:
239.87
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24859948
EC Number:
223-924-8
Beilstein/REAXYS Number:
512173
MDL number:
MFCD00000842

Key Documents

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InChI key

RQHMQURGSQBBJY-UHFFFAOYSA-N

InChI

1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H

SMILES string

ClC(Cl)C(=O)OC(=O)C(Cl)Cl

grade

technical grade

assay

85%

form

liquid

Quality Level

100

refractive index

n20/D 1.483 (lit.)

bp

214-216 °C (lit.)

density

1.574 g/mL at 25 °C (lit.)

General description

Dichloroacetic anhydride is an acylating agent and was evaluated for inducing autoimmune responses.

Application

Dichloroacetic anhydride was employed as an acylating agent for acylation of 10-Deacetylbaccatin III using Pseudomonas cepacia. It was also used in the preparation of cellulose dichloroacetates.

pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Inhalation - Eye Dam. 1 - Skin Corr. 1B

Storage Class

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

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
STBF1690V
S73553
10727MT
07710KS
07229DU

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A new soluble and hydrolytically cleavable intermediate in cellulose functionalization: cellulose dichloroacetate (CDCA).
Liebert T and Klemm D.
Acta Polym., 49(2-3), 124-128 (1998)
Selective enzymatic acylation of 10-deacetylbaccatin III.
Lee D, et al.
Tetrahedron Letters, 39(49), 9039-9042 (1998)
Ping Cai et al.
Toxicology and applied pharmacology, 216(2), 248-255 (2006-06-30)
Dichloroacetyl chloride (DCAC) is formed from trichloroethene (TCE), which is implicated in inducing/accelerating autoimmune response. Due to its potent acylating activity, DCAC may convert proteins to neo-antigens and thus could induce autoimmune responses. Dichloroacetic anhydride (DCAA), which is a similar

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