Dichloroaceticacid , 1000 μg/ml, matrix: Jiashu buty ether , 79-43-6
Synonym(s):
DCA Deblock;DEBLOCK (0.36M dichloroacetic acid in toluene);Dichloroacetic acid
CAS NO.：79-43-6
Empirical Formula: C2H2Cl2O2
Molecular Weight: 128.94
MDL number: MFCD00004223
EINECS: 201-207-0
PRODUCT Properties
| Melting point: | 9-11 °C(lit.) |
| Boiling point: | 194 °C(lit.) |
| Density | 1.56 g/mL at 25 °C (lit.) |
| vapor density | 4.5 (vs air) |
| vapor pressure | 0.19 mm Hg ( 20 °C) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Store below +30°C. |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 1.48(at 25℃) |
| form | Liquid |
| color | APHA: <50 |
| PH | 1.2 (129g/l, H2O, 20℃) |
| Water Solubility | soluble |
| Sensitive | Hygroscopic |
| Merck | 14,3050 |
| BRN | 1098596 |
| Dielectric constant | 10.7（-7℃） |
| Exposure limits | ACGIH: TWA 0.5 ppm (Skin) |
| Stability: | Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Reacts with water. Protect from moisture. Hygroscopic. |
| InChI | 1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) |
| InChIKey | JXTHNDFMNIQAHM-UHFFFAOYSA-N |
| SMILES | OC(=O)C(Cl)Cl |
| 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 | Dichloroacetic acid (79-43-6) |
Description and Uses
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.
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.
Safety
| Symbol(GHS) |     GHS05,GHS06,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H290-H311-H314-H351-H360FD-H373-H400 |
| Precautionary statements | P202-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| target organs | Brain,Liver,Testes |
| PPE | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn,N,C,Xi,F |
| Risk Statements | 36/38-40-50-35-36/37/38-67-38-65-48/20-11-63-50/53 |
| Safety Statements | 26-45-61-36/37-36-16-62-36/37/39 |
| RIDADR | UN 1764 8/PG 2 |
| WGK Germany | 2 |
| RTECS | AG6125000 |
| F | 3-10 |
| TSCA | TSCA listed |
| HS Code | 2915 40 00 |
| HazardClass | 8 |
| PackingGroup | II |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| 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 |
| Hazardous Substances Data | 79-43-6(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 2.82 g/kg (Smyth) |
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
