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Merck
CN

634522

SAFC

Dichloroacetic acid

biotech. grade, ≥98%

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About This Item

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

Key Documents

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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)

refractive index

n20/D 1.466 (lit.)

bp

194 °C (lit.)

mp

9-11 °C (lit.)

density

1.563 g/mL at 25 °C (lit.)

SMILES string

OC(=O)C(Cl)Cl

InChI

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

InChI key

JXTHNDFMNIQAHM-UHFFFAOYSA-N

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Signal Word

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

Supplementary Hazards

EUH071

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBF4125V
SHBF2246V
SHBF1368V
SHBD3328V
SHBC4774V

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Ajay Kumar et al.
Chemico-biological interactions, 199(1), 29-37 (2012-06-19)
Pyruvate dehydrogenase kinase (PDK) inhibits pyruvate dehydrogenase (PDH) activity and thus promotes energetic switch from mitochondrial glucose oxidation to cytoplasmic glycolysis in cancerous cells (a phenomenon known as the 'Warburg effect') for their energy need, which facilitates the cancer progression
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
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
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.
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
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