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331295

Sigma-Aldrich

Dichloroacetic anhydride

technical grade, 85%

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

grade

technical grade

Quality Level

100

Assay

85%

form

liquid

refractive index

n20/D 1.483 (lit.)

bp

214-216 °C (lit.)

density

1.574 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

RQHMQURGSQBBJY-UHFFFAOYSA-N

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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

Signal Word

Danger

Hazard Statements

H311,H314,H332

Hazard Classifications

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

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Selective enzymatic acylation of 10-deacetylbaccatin III.
Lee D, et al.
Tetrahedron Letters, 39(49), 9039-9042 (1998)
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)
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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