D54702

Dichloroacetic acid

ReagentPlus^®, ≥99%

• Synonym(s): 2,2-Dichloroacetic acid, DCA, DCAA
• Linear Formula: Cl₂CHCOOH
• CAS Number: 79-43-6
• Molecular Weight: 128.94
• Beilstein: 1098596
• EC Number: 201-207-0
• MDL number: MFCD00004223
• UNSPSC Code: 12352100
• PubChem Substance ID: 24893838
• NACRES: NA.21

Properties

• vapor density: 4.5 (vs air)
• Quality Level: 200
• vapor pressure: 0.19 mmHg ( 20 °C)
• product line: ReagentPlus^®
• Assay: ≥99%
• form: liquid
• 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.)
• functional group: carboxylic acid; chloro
• storage temp.: 2-8°C
• 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
• Gene Information: human ... ALDH1A1(216) , PDK1(5163) ; rat ... Pdk1(116551)

Description

General description

Dichloroacetic acid (DCA) is a chlorinated acetic acid that has been reported to be a mouse liver carcinogen. The varying degrees of swelling of polyester in different concentrations of DCA solution has been analyzed by phase-contrast microscopy. The efficiency of titanium dioxide (TiO₂) nanoparticles to catalyze the photodegradation of DCA has been investigated.

Application

Dichloroacetic acid (DCA) can be used as:

• A reactant in the synthesis of chloroketones by reacting with esters in the presence of LiHMDS via Claisen-type homologation reaction.
• A structure-directing agent, solvent, or plastdopant for the preparation of different morphologies of polyaniline (PANI). Self-assembling nanostructured PANI may be formed due to the presence of strong hydrogen bonding between DCA and aniline/polyaniline.

Legal Information

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

Safety Information

• Pictograms: GHS06,GHS08,GHS05,GHS09
• Signal Word: Danger
• Hazard Statements: H290,H311,H314,H351,H360FD,H362,H373,H400
• Precautionary Statements: P263 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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