ChemicalBook--->CAS DataBase List--->79-43-6

79-43-6

79-43-6 Structure

79-43-6 Structure
IdentificationMore
[Name]

Dichloroacetic acid
[CAS]

79-43-6
[Synonyms]

BICHLOROACETIC ACID
DICHLOROACETIC ACID
DICHLOROETHANOIC ACID
RARECHEM AL BO 0413
2,2,-dichloroethanoicacid
2,2-Dichloroacetic acid
2,2-dichloroaceticacid
Aceticacid,dichloro-
acidedichloracetique
Bichloracetic acid
bichloraceticacid
dca(acid)
Dichloracetic acid
dichloraceticacid
Dichlorethanoic acid
dichlorethanoicacid
dichloro
dichloroacetic
dichloro-aceticaci
Kyselina dichloroctova
[EINECS(EC#)]

201-207-0
[Molecular Formula]

C2H2Cl2O2
[MDL Number]

MFCD00004223
[Molecular Weight]

128.94
[MOL File]

79-43-6.mol
Chemical PropertiesBack Directory
[Appearance]

DCA is a corrosive, combustible, colorless liquid with a pungent odor.
[Melting point ]

9-11 °C(lit.)
[Boiling point ]

194 °C(lit.)
[density ]

1.563 g/mL at 25 °C(lit.)
[vapor density ]

4.5 (vs air)
[vapor pressure ]

0.19 mm Hg ( 20 °C)
[refractive index ]

n20/D 1.466(lit.)
[Fp ]

>230 °F
[storage temp. ]

0-6°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

1.48(at 25℃)
[color ]

APHA: <50
[PH]

1.2 (129g/l, H2O, 20℃)
[Stability:]

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

soluble
[Sensitive ]

Hygroscopic
[Merck ]

14,3050
[BRN ]

1098596
[Dielectric constant]

10.7(-7℃)
[Exposure limits]

ACGIH: TWA 0.5 ppm (Skin)
[InChIKey]

JXTHNDFMNIQAHM-UHFFFAOYSA-N
[LogP]

0.92
[CAS DataBase Reference]

79-43-6(CAS DataBase Reference)
[IARC]

2B (Vol. 63, 84, 106) 2014
[NIST Chemistry Reference]

Acetic acid, dichloro-(79-43-6)
[EPA Substance Registry System]

79-43-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,N,C,Xi,F
[Risk Statements ]

R36/38:Irritating to eyes and skin .
R40:Limited evidence of a carcinogenic effect.
R50:Very Toxic to aquatic organisms.
R35:Causes severe burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1764 8/PG 2
[WGK Germany ]

2
[RTECS ]

AG6125000
[F ]

3-10
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29154000
[Safety Profile]

Moderately toxic by skin contact and ingestion. It is corrosive to the skin, eyes, and mucous membranes. Questionable carcinogen with experimental tumorigenic data. Will react with water or steam to produce toxic and corrosive fumes. When heated to decomposition it emits toxic fumes of Cl-. See also CHLORIDES.
[Hazardous Substances Data]

79-43-6(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 2.82 g/kg (Smyth)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Chloral
[Preparation Products]

Chloroacetic acid-->Glyoxylic acid-->Basic Yellow 24-->Dichloroacetyl chloride-->HEPTENOPHOS-->Dichloroacetic acid methyl ester-->Allantoin-->Hemin-->2-(DICHLOROMETHYL)BENZIMIDAZOLETHIOL-->Sodium dichloroacetate-->Acetic acid, 2,2-dichloro-, (tetrahydro-2-furanyl)methyl ester
Hazard InformationBack Directory
[General Description]

A colorless crystalline solid melting at 49°F. Corrosive to metals and tissue.
[Reactivity Profile]

DICHLOROACETIC ACID(79-43-6) is probably hygroscopic. This chemical reacts with water or steam. DICHLOROACETIC ACID(79-43-6) is incompatible with strong oxidizing agents, strong bases and strong reducing agents.
[Air & Water Reactions]

Soluble in water.
[Health Hazard]

TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
[Potential Exposure]

This haloacetic acid can be a byproduct of drinking water disinfection and may increase the risk of cancer. This chemical is used as starting material for the production of glyoxylic; dialkyloxy acids; and sulfonamides. It is also used as a fungicide, a medication; and a chemical intermediate in pharmaceuticals
[Fire Hazard]

Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. If victim is conscious, administer water or milk. Do not induce vomiting. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.
[Shipping]

UN1764 Dichloricacetic acid, Hazard class: 8; Labels: 8-Corrosive material.
[Incompatibilities]

DCA is a medium strong acid; incompatible with nonoxidizing mineral acids; organic acids; bases, acrylates, aldehydes, alcohols, alkylene oxides; ammonia, aliphatic amines; alkanolamines, aromatic amines; amides, furfuryl alcohol (explosion hazard), glycols, isocyanates, ketones. Attacks metals generating flammable hydrogen gas. Attacks some plastics, rubber, and coatings
[Description]

DCA is a corrosive, combustible, colorless liquid with a pungent odor. Molecular weight = 128.94;Specific gravity (H2O:1) = 1.56; Boiling point = 193.8℃;Freezing/Melting point = 9.7-13.5℃; Vaporpressure = 1 mmHg at 44℃; Flash point = 110℃. HazardIdentification (based on NFPA-704 M Rating System):Health 3, Flammability 1, Reactivity 1. Highly corrosive.Soluble in water.
[Chemical Properties]

DCA is a corrosive, combustible, colorless liquid with a pungent odor.
[Chemical Properties]

Dichloroacetic acid, CHCI2COOH, also known as dichlorethanoic acid, is a colorless,strong liquid acid. It is soluble in water and alcohol. Dichloroacetic acid is prepared by the chlorination of acetic acid.It is used in organic synthesis.
[Uses]

Dichloroacetic acid is used as an intermediate to make other chemicals such as its salts and esters. It is involved as a test reagent for fiber analysis and a disinfectant. It is used to inhibit mitochondrial PDK (pyruvate dehydrogenase kinase) and to shift cellular metabolism from glycolysis to glucose oxidation. Further, it is used in the treatment for post-ischemic recovery.
[Application]

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.
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.
[Definition]

ChEBI: An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis.
[Preparation]

Dichloroacetic acid was reported to be first synthesized in 1864 by the further chlorination of monochloroacetic acid with chlorine (Beilstein Online, 2002). The most common production method for dichloroacetic acid is the hydrolysis of dichloroacetyl chloride, which is produced by the oxidation of trichloroethylene.
[Flammability and Explosibility]

Nonflammable
[storage]

Color Code—White: Corrosive or Contact Hazard;Store separately in a corrosion-resistant location. Prior toworking with DCA you should be trained on its proper handling and storage. Store in tightly closed containers in acool, well-ventilated area away from incompatible materialslisted above. Metal containers involving the transfer of thischemical should be grounded and bonded. Where possible,automatically pump liquid from drums or other storage containers to process containers. Drums must be equipped withself-closing valves, pressure vacuum bungs, and flamearresters. Use only nonsparking tools and equipment, especially when opening and closing containers of this chemical. Sources of ignition, such as smoking and open flames,are prohibited where this chemical is used, handled, orstored in a manner that could create a potential fire orexplosion hazard. Wherever this chemical is used, handled,manufactured, or stored, use explosion-proof electricalequipment and fittings.
[Purification Methods]

Crystallise this strong acid from *benzene or pet ether. Dry it with MgSO4 and fractionally distil it. [Bernasconi et al. J Am Chem Soc 107 3612 1985, Beilstein 2 IV 498.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

dichloroacetic acid(79-43-6).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Dichloroacetic acid(79-43-6)MS
Dichloroacetic acid(79-43-6)1HNMR
Dichloroacetic acid(79-43-6)IR1
Dichloroacetic acid(79-43-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dichloroaceticacid,99+%(79-43-6)
[Alfa Aesar]

Dichloroacetic acid, 99+%(79-43-6)
[Sigma Aldrich]

79-43-6(sigmaaldrich)
[TCI AMERICA]

Dichloroacetic Acid,>98.0%(GC)(79-43-6)
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