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167479

Sigma-Aldrich

Chloroacetone

95%

Sinónimos:

1-Chloropropan-2-one

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About This Item

Fórmula lineal:
ClCH2COCH3
Número de CAS:
78-95-5
Peso molecular:
92.52
Beilstein:
605369
Número CE:
201-161-1
Número MDL:
MFCD00000936
Código UNSPSC:
12352100
ID de la sustancia en PubChem:
24850211
NACRES:
NA.22

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Nivel de calidad

100

Ensayo

95%

contiene

~0.1% Drapex 39 as stabilizer

impurezas

~5% 1,1-dichloroacetone and/or mesityl oxide

índice de refracción

n20/D 1.432 (lit.)

bp

120 °C (lit.)

mp

−44.5 °C

solubilidad

alcohol: miscible
chloroform: miscible
diethyl ether: miscible

densidad

1.162 g/mL at 25 °C (lit.)

grupo funcional

chloro
ketone

temp. de almacenamiento

2-8°C

cadena SMILES

CC(=O)CCl

InChI

1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3

Clave InChI

BULLHNJGPPOUOX-UHFFFAOYSA-N

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Descripción general

Direct aldol reaction of chloroacetone with of 4-nitrobenzaldehyde catalyzed by L-proline amides has been investigated[1].

Aplicación

Chloroacetone was used in the synthesis of double-chain nonionic surfactants with an acid decomposition function via acid-catalyzed condensation with fatty alcohols (octyl, decyl and dodecyl)[2]. It was also used in the synthesis of meso-tetramethyl tetrakis-(4-phenoxy acetone)calix[4]pyrrole[3].

Palabra de señalización

Danger

Clasificaciones de peligro

Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - STOT SE 3

Órganos de actuación

Respiratory system

Código de clase de almacenamiento

3 - Flammable liquids

Clase de riesgo para el agua (WGK)

WGK 3

Punto de inflamabilidad (°F)

95.0 °F - closed cup

Punto de inflamabilidad (°C)

35 °C - closed cup

Equipo de protección personal

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificados de análisis (COA)

Lot/Batch Number
BCCM3753
BCCJ0784
BCCF6684
BCCB9591
BCBZ4632

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Angela F Danil de Namor et al.
Physical chemistry chemical physics : PCCP, 12(3), 753-760 (2010-01-13)
Following the synthesis and characterization of meso-tetramethyl tetrakis (4-phenoxy acetone) calix[4]pyrrole, 1, the solution properties of this receptor in various solvents were investigated. Particular emphasis is placed on the selection of the solvent in assessing thermodynamic selectivity in ion complexation
L-Proline amide-catalyzed direct asymmetric aldol reaction of aldehydes with chloroacetone.
He L, et al.
Tetrahedron, 62(2), 346-351 (2006)
H Lauble et al.
Acta crystallographica. Section D, Biological crystallography, 57(Pt 2), 194-200 (2001-02-15)
The crystal structures of hydroxynitrile lyase from Manihot esculenta (MeHNL) complexed with the native substrate acetone and substrate analogue chloroacetone have been determined and refined at 2.2 A resolution. The substrates are positioned in the active site by hydrogen-bond interactions
D H Suh et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 5(2), 305-313 (1985-04-01)
Chlorination of drinking waters leads to the formation of trihalomethanes arising from the reaction of chlorine and organic substances. Therefore, chlorine dioxide (ClO2) which does not produce trihalomethanes is being considered as an alternative disinfectant. It has been reported that
Chloroacetones: mutagenic constituents of bleached kraft chlorination effluent.
A B McKague et al.
Mutation research, 91(4-5), 301-306 (1981-07-01)
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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

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    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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