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Sigma-Aldrich

Chloroacetone

95%

Synonym(s):

1-Chloropropan-2-one, Chloro-2-propanone

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About This Item

Linear Formula:
ClCH2COCH3
CAS Number:
Molecular Weight:
92.52
Beilstein:
605369
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level

Assay

95%

contains

~0.1% Drapex 39 as stabilizer

impurities

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

refractive index

n20/D 1.432 (lit.)

bp

120 °C (lit.)

mp

−44.5 °C

solubility

alcohol: miscible
chloroform: miscible
diethyl ether: miscible

density

1.162 g/mL at 25 °C (lit.)

functional group

chloro
ketone

storage temp.

2-8°C

SMILES string

CC(=O)CCl

InChI

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

InChI key

BULLHNJGPPOUOX-UHFFFAOYSA-N

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General description

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

Application

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].

Signal Word

Danger

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

95.0 °F - closed cup

Flash Point(C)

35 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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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)
E V Sargent et al.
American Industrial Hygiene Association journal, 47(7), 375-378 (1986-07-01)
Monochloroacetone was introduced in 1914 as a war gas, and presently it has a number of uses as a chemical intermediate. Apart from its biological properties as a lacrimator and vesicant, it is not a well-studied compound toxicologically. A series
Yangang Ren et al.
The Science of the total environment, 749, 141406-141406 (2020-08-21)
Phytohormones emitted into the atmosphere perform many functions relating to the defence, pollination and competitiveness of plants. To be effective, their atmospheric lifetimes must be sufficient that these signals can be delivered to their numerous recipients. We investigate the atmospheric
Dose-response relationships for mutations induced in E. coli by some model compounds. With an addendum: Reaction kinetics in water of chloroethylene oxide, chloroacetaldehyde, and chloroacetone.
S Hussain et al.
Hereditas, 101(1), 57-68 (1984-01-01)

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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer
    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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