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Merck
CN

634522

Dichloroacetic acid

biotech. grade, ≥98%

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About This Item

Linear Formula:
Cl2CHCOOH
CAS Number:
79-43-6
Molecular Weight:
128.94
EC Number:
201-207-0
UNSPSC Code:
12352200
PubChem Substance ID:
329759863
Beilstein/REAXYS Number:
1098596
MDL number:
MFCD00004223

Key Documents

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InChI

1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChI key

JXTHNDFMNIQAHM-UHFFFAOYSA-N

SMILES string

OC(=O)C(Cl)Cl

grade

biotech. grade

vapor density

4.5 (vs air)

vapor pressure

0.19 mmHg ( 20 °C)

assay

≥98%

form

liquid

impurities

≤0.05% water

color

APHA: <50

turbidity

0.22 NTU (clear)

bp

194 °C (lit.)

mp

9-11 °C (lit.)

density

1.563 g/mL at 25 °C (lit.)

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signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Aquatic Acute 1 - Carc. 2 - Eye Dam. 1 - Lact. - Met. Corr. 1 - Repr. 1B - Skin Corr. 1A - STOT RE 2 Oral

target_organs

Brain,Liver,Testes

supp_hazards

EUH071

Storage Class

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

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBF4125V
SHBF2246V
SHBF1368V
SHBD3328V
SHBC4774V

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Yong Won Choi et al.
Cancer letters, 346(2), 300-308 (2014-02-01)
To investigate sensitization of metformin-cytotoxicity, cancer cells were treated with dichloroacetate (DCA), an inhibitor of pyruvate dehydrogenase kinase (PDK). Metformin-cytotoxicity was mainly dependent on glucose availability and reducing power generated by pentose phosphate pathway, whereas DCA cotreatment enhanced metformin-cytotoxicity via
Haihua Xiao et al.
Chemical communications (Cambridge, England), 48(87), 10730-10732 (2012-09-27)
A multifunctional hybrid platinum(IV) prodrug, which consists of both the mitochondria-targeting drug DCA and the DNA-crosslinking drug cisplatin, was synthesized and tethered to a carrier polymer to further self-assemble into micelles for intracellular delivery.
Toshimitsu Ohashi et al.
International journal of cancer, 133(5), 1107-1118 (2013-02-20)
The activation of oncogenic signaling pathways induces the reprogramming of glucose metabolism in tumor cells and increases lactic acid secretion into the tumor microenvironment. This is a well-known characteristic of tumor cells, termed the Warburg effect, and is a candidate
Yi-Hsueh Chuang et al.
Water research, 47(3), 1308-1316 (2013-01-05)
The direct incorporation of chloramines and dissolved organic nitrogen (DON) may provide the nitrogen for nitrogenous disinfection byproducts (N-DBPs). This study explores the contributions of natural DON and chloramine incorporation to the formation of N-DBPs during chloramination. This study also
Mehdi D Esrafili
Journal of molecular modeling, 18(12), 5005-5016 (2012-06-28)
A theoretical study was performed to examine hydrogen and halogen bonds properties in gas phase and crystalline dichloroacetic acid (DCAA). The specific pattern of O-H∙∙∙O, C-H∙∙∙O, HCl, Cl∙∙∙O and Cl∙∙∙Cl interactions in DCAA dimers is described within the quantum theory
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