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35810

Dichloroacetic acid

puriss., ≥98.5% (T)

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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:
12352100
MDL number:
MFCD00004223
Beilstein/REAXYS Number:
1098596
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vapor density

4.5 (vs air)

vapor pressure

0.19 mmHg ( 20 °C)

grade

puriss.

assay

≥98.5% (T)

refractive index

n20/D 1.466

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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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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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
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