D54702

Dichloroacetic acid

≥99%, liquid, ReagentPlus^®

• Synonym(s): 2,2-Dichloroacetic acid, DCA, DCAA
• Linear Formula: Cl₂CHCOOH
• CAS Number: 79-43-6
• Molecular Weight: 128.94
• NACRES: NA.21
• PubChem Substance ID: 24893838
• UNSPSC Code: 12352100
• EC Number: 201-207-0
• MDL number: MFCD00004223
• Beilstein/REAXYS Number: 1098596
• Assay: ≥99%
• Concentration: ≤100%
• Form: liquid

Properties

• Product Name: Dichloroacetic acid, ReagentPlus^®, ≥99%
• vapor density: 4.5 (vs air)
• Quality Level: 200
• vapor pressure: 0.19 mmHg ( 20 °C)
• product line: ReagentPlus^®
• assay: ≥99%
• form: liquid
• concentration: ≤100%
• refractive index: n20/D 1.466 (lit.)
• pH: (1,2 at-129 g/l at 20 °C)
• bp: 194 °C (lit.)
• mp: 9-11 °C (lit.)
• solubility: water: soluble
• 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
• signalword: Danger
• hcodes: H290,H311,H314,H351,H360FD,H362,H373,H400
• pcodes: 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
• 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