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10905

Sigma-Aldrich

Chloroacetone

produced by Wacker Chemie AG, Burghausen, Germany, ≥96.0% (GC)

Synonym(s):

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

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About This Item

Linear Formula:
ClCH2COCH3
CAS Number:
78-95-5
Molecular Weight:
92.52
Beilstein:
605369
EC Number:
201-161-1
MDL number:
MFCD00000936
UNSPSC Code:
12352100
PubChem Substance ID:
57646839
NACRES:
NA.22

grade

produced by Wacker Chemie AG, Burghausen, Germany

Quality Level

100

Assay

≥96.0% (GC)

contains

~0.1% Drapex 39 as stabilizer

refractive index

n20/D 1.432 (lit.)

bp

120 °C (lit.)

solubility

H2O: soluble 10 parts
alcohol: miscible
chloroform: miscible
diethyl ether: miscible

density

1.162 g/mL at 25 °C (lit.)

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

Chloroacetone undergoes direct aldol reaction with 4-nitrobenzaldehyde catalyzed by L-proline amides. It reacts with carboxylic acids to form ester derivatives.

Application

Chloroacetone was used in microbial asymmetric reduction of chloracetone to synthesize chiral 1,2-epoxy propane. It was used in analysis of acids by gas chromatography. It was also used in the syntheis of methylthiazole derivatives by reacting with 1-((3-(naphtho[2,1-b]furan-2-yl)-1-phenyl-1H-pyrazol-4-yl) methylene)-2-phenylhydrazone.

Other Notes

prices for bulk quantities on request

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Analysis of carboxylic acids by gas chromatography. Derivatisation using chloroacetone.
McCalley DV, et al.
Chromatographia, 18(6), 309-312 (1984)
Synthesis of optically pure 1, 2-epoxypropane by microbial asymmetric reduction of chloroacetone.
Weijers CAGM, et al.
Applied Microbiology and Biotechnology, 38(3), 297-300 (1992)
Ashraf H F Abd El-Wahab et al.
Molecules (Basel, Switzerland), 16(1), 307-318 (2011-01-27)
Vilsmeier formylation of 2-(1-phenylhydrazonoethyl)naphtho[2,1-b]furan (2) gave 3-naphtho[2,1-b]furan-2-yl-1-phenyl-1H-pyrazole-4-carbaldehyde (3), which was reacted with C- and N-nucleophiles to afford naphthofuranpyrazol derivatives 4-8. Treatment of 2-[(3-(naphtho[2,1-b]furan-2-yl)-1-phenyl-1H-pyrazol-4-yl)methylene]-malononitrile (4a) with reactants having active hydrogen and Et₃N gave the corresponding pyrazoline, pyran and chromene addition product
L-Proline amide-catalyzed direct asymmetric aldol reaction of aldehydes with chloroacetone.
He L, et al.
Tetrahedron, 62(2), 346-351 (2006)
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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