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Key Documents

634522

SAFC

Dichloroacetic acid

biotech. grade, ≥98%

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About This Item

Linear Formula:
Cl2CHCOOH
CAS Number:
Molecular Weight:
128.94
Beilstein/REAXYS Number:
1098596
EC Number:
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:

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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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

Storage Class

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

wgk_germany

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


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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
Alfredo Caro-Maldonado et al.
Journal of immunology (Baltimore, Md. : 1950), 192(8), 3626-3636 (2014-03-13)
B cell activation leads to proliferation and Ab production that can protect from pathogens or promote autoimmunity. Regulation of cell metabolism is essential to support the demands of lymphocyte growth and effector function and may regulate tolerance. In this study
Lin Piao et al.
Journal of molecular medicine (Berlin, Germany), 91(3), 333-346 (2012-12-19)
Pyruvate dehydrogenase kinase (PDK) is activated in right ventricular hypertrophy (RVH), causing an increase in glycolysis relative to glucose oxidation that impairs right ventricular function. The stimulus for PDK upregulation, its isoform specificity, and the long-term effects of PDK inhibition
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.

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