Dichloroacetic Acid

Basic Information

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CAS Number

79-43-6

Molecular Formula

C2H2Cl2O2

Molecular Weight

128.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

9-11 °C

Boiling Point

194 °C

Density

1.563 g/mL at 25 °C

Refractive Index

n20/D 1.466(lit.)

Vapor Pressure

0.19 mmHg ( 20 °C)

SMILES

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OC(=O)C(Cl)Cl

InChI

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

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-N

LogP

0.8747

pKa

1.48(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

60.6

Safety Information

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GHS Hazard Pictograms

H314

H400

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 8 Class 8

Stability

Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Reacts with water. Protect from moisture. Hygroscopic.

Sensitiveness

Hygroscopic

Toxicity

LD50 orally in rats: 2.82 g/kg (Smyth)

Synonyms & References

English

2,2-Dichloroacetic acid
Dichloroacetic acid solution
Dichloroacetic Acid
DICHLOROACETIC ACID FOR SYNTHESIS
bichloraceticacid
dca(acid)
dichloraceticacid
Dichloressigsure
dichloro
dichloroacetic
dichloro-acetic acid
DKhUK
Urner's liquid
Aceticacid, dichloro- (5CI,8CI,9CI)
DCA
Dichlorethanoic acid
Dichloroethanoic acid
Dichloroacetic aciol
DCA (acid)
Dichloracetic acid
Dichloroacetic acid
Deblocking Solution [Dichloroacetic Acid-Toluene (3:97)]

MDL Number

MFCD00004223

Customs Code

2915400090

FAQ

What regulatory guidelines apply to Dichloroacetic Acid (CAS: 79-43-6)?

Dichloroacetic Acid (CAS: 79-43-6) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its corrosive properties. In the European Union, it is subject to REACH regulations, which require a Safety Data Sheet (SDS) for handling and use. The Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) in the USA also have specific guidelines for the use and disposal of this compound.

Are there alternatives to Dichloroacetic Acid (CAS: 79-43-6) in synthesis?

Yes, alternatives to Dichloroacetic Acid (CAS: 79-43-6) include other chlorinated acetic acids such as trichloroacetic acid and monochloroacetic acid. Additionally, synthetic routes using other reagents like chloroacetaldehyde can be explored as substitutes, depending on the specific application and desired properties.

What is the market or research trend for Dichloroacetic Acid (CAS: 79-43-6)?

The market for Dichloroacetic Acid (CAS: 79-43-6) is growing due to its applications in pharmaceuticals, biotechnology, and environmental monitoring. Research trends focus on its use in tumor therapy and as a reagent for chemical synthesis. Market trends show a steady demand, with increasing emphasis on sustainable and eco-friendly production methods.

How should waste containing Dichloroacetic Acid (CAS: 79-43-6) be handled?

Waste containing Dichloroacetic Acid (CAS: 79-43-6) should be collected in a secure container and stored in a well-ventilated area. It should be neutralized with a base before disposal to minimize corrosion risks. For large volumes or hazardous concentrations, professional waste disposal services should be utilized to ensure compliance with environmental regulations and safety standards.