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36545

Supelco

Dichloroacetic acid

PESTANAL®, analytical standard

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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:
41116107
PubChem Substance ID:
329755388
NACRES:
NA.24

grade

analytical standard

vapor density

4.5 (vs air)

vapor pressure

0.19 mmHg ( 20 °C)

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

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.)

application(s)

agriculture
environmental

format

neat

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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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ1090
BCBW5201
SZBA153XV
SZBA153X
SZE8042X

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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
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
Jérome Kluza et al.
Cancer research, 72(19), 5035-5047 (2012-08-07)
Cancer cells can undergo a metabolic reprogramming from oxidative phosphorylation to glycolysis that allows them to adapt to nutrient-poor microenvironments, thereby imposing a selection for aggressive variants. However, the mechanisms underlying this reprogramming are not fully understood. Using complementary approaches
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