Sodium dichloroacetate
- IUPAC Nombre：sodium 2,2-dichloroacetate
- CAS Registry Number: 2156-56-1
- Peso molecular：150.92
1. Nombres y Identificadores
- 1.1 Nombre del producto
- Sodium dichloroacetate
- 1.2 Sinónimos
Dichloroacetic acid sodium salt
- 1.3 CAS Registry Number
- 2156-56-1
- 1.4 CID
- 517326
- 1.5 Número EINECS
- 218-461-3
- 1.6 Fórmula molecular
- Cl2CHCO2Na (isomer)
- 1.7 Inchi
- InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
- 1.8 InchiKey
- LUPNKHXLFSSUGS-UHFFFAOYSA-M
- 1.9 Canónico SMILES
- C(C(=O)[O-])(Cl)Cl.[Na+]
- 1.10 Isómero SMILES
- C(C(=O)[O-])(Cl)Cl.[Na+]
2. Propiedades
- 2.1 Densidad
- Relative density (water = 1): 1.56
- 2.2 Punto de Derretimiento
- 198℃ (dec.)
- 2.3 Punto de Hierro
- 194°Cat760mmHg
- 2.4 Punto de Flash
- 194°Cat760mmHg
- 2.5 PSA
- 40.13000
- 2.6 logP
- -0.46000
- 2.7 Vapour
- Relative vapour density (air = 1): 4.4
3. Seguridad y Manejo
- 3.1 Código de peligro
- Xi
- 3.2 Código de riesgo
- R36/37/38
- 3.3 Categoría de peligro
- 8
- 3.4 Descripción del peligro
- H315-H319-H335-H351
- 3.5 Wgk Alemania
- 2
- 3.6 RTECS
- AG9275000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
6. Datos químicos computacionales
- Peso molecular: 150.92391g/mol
- Fórmula molecular: C2HCl2NaO2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 149.9251289
- Monoisotopic Mass: 149.9251289
- Complexity: 64.7
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 40.1
- Heavy Atom Count: 7
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADcQBAMCAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAAAAOAgMAACAAAAAAIAACQCAAAAAAAAAAAAAAAAQBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. preguntas y respuestas
-
Sodium dichloroacetate, also known as Sodium dichloroacetate in English, is a white solid powder at room temperature and pressure. It has a certain alkalinity and strong hygroscopicity, good solubili..
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Sodium Dichloroacetate is the sodium salt of dichloroacetic acid with potential antineoplastic activity. Dichloroacetate ion inhibits pyruvate dehydrogenase kinase, resulting in the inhibition of glyc..
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Sodium Dichloroacetate (DCA) is a promising compound with potential antineoplastic activity. By inhibiting pyruvate dehydrogenase kinase, DCA inhibits glycolysis and reduces lactate production, potent..
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9. información real del producto
skype
4YRS
