Saltar al contenido
Merck
Todas las fotos(1)

Documentos

227153

Sigma-Aldrich

3-Chloro-2,4-pentanedione

97%

Sinónimos:

3-Chloroacetylacetone

Iniciar sesiónpara Ver la Fijación de precios por contrato y de la organización
Todas las fotos(1)

About This Item

Fórmula lineal:
CH3COCHClCOCH3
Número de CAS:
1694-29-7
Peso molecular:
134.56
Beilstein/REAXYS Number:
605870
EC Number:
216-902-4
MDL number:
MFCD00009651
UNSPSC Code:
12352100
PubChem Substance ID:
24853616
NACRES:
NA.22

Quality Level

100

assay

97%

refractive index

n20/D 1.483 (lit.)

bp

49-52 °C/18 mmHg (lit.)

density

1.1921 g/mL at 20 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(=O)C(Cl)C(C)=O

InChI

1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3

InChI key

VLRGXXKFHVJQOL-UHFFFAOYSA-N

¿Está buscando productos similares? Visita Guía de comparación de productos

General description

The tautomeric properties of 3-chloro-2,4-pentanedione were studied using gas electron diffraction (GED) and quantum chemical calculations.

Application

3-Chloro-2,4-pentanedione was used in the synthesis of tetrathiafulvenyl-acetylacetonate (TTFSacacH), precursor of novel redox-active ligands.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

132.8 °F - closed cup

flash_point_c

56 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

¿Ya tiene este producto?

Encuentre la documentación para los productos que ha comprado recientemente en la Biblioteca de documentos.

Visite la Librería de documentos

Los clientes también vieron

Slide 1 of 2

1 of 2

1,3-Diphenyl-1,3-propanedione 98%

Sigma-Aldrich

D33454

1,3-Diphenyl-1,3-propanedione

Hexafluoroacetylacetone 98%

Sigma-Aldrich

238309

Hexafluoroacetylacetone

Natalya V Belova et al.
The journal of physical chemistry. A, 112(14), 3209-3214 (2008-03-07)
The tautomeric properties of alpha-chlorinated acetylacetone, 3-chloro-2,4-pentanedione CH3C(O)-CHCl-C(O)CH3, have been investigated by gas electron diffraction (GED) and quantum chemical calculations (B3LYP and MP2 approximations with different basis sets up to cc-pVTZ). Analysis of the GED intensities resulted in the presence
Julien Massue et al.
Inorganic chemistry, 44(24), 8740-8748 (2005-11-22)
The reaction of tris(alkylthio)tetrathiafulvalene thiolates with 3-chloro-2,4-pentanedione affords tetrathiafulvalene (TTF) moieties substituted by the acetylacetone function (TTFSacacH), precursors of novel redox-active ligands: the acetylacetonate ions (TTFSacac). These TTFSacacHs have been characterized by X-ray diffraction analyses, and similar trends have been
Almeqdad Y Habashneh et al.
Archiv der Pharmazie, 347(6), 415-422 (2014-03-13)
A new series of N1-(flavon-6-yl)amidrazones were synthesized by reacting the hydrazonoyl chloride derived from 6-aminoflavone with the appropriate sec-cyclic amines. The antitumor activities of these compounds were evaluated on breast cancer (MCF-7) and leukemic (K562) cell lines. Among the compounds
Jennifer A Jacobsen et al.
Journal of medicinal chemistry, 54(2), 591-602 (2010-12-30)
Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced hit rates ranging from 29% to 43% for five matrix metalloproteases

Nuestro equipo de científicos tiene experiencia en todas las áreas de investigación: Ciencias de la vida, Ciencia de los materiales, Síntesis química, Cromatografía, Analítica y muchas otras.

Póngase en contacto con el Servicio técnico