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10905

Chloroacetone

Name: Chloroacetone
Brand: ALDRICH

Wacker Chemie AG, ≥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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

57646839

EC Number:

201-161-1

Beilstein/REAXYS Number:

605369

MDL number:

MFCD00000936

Assay:

≥96.0% (GC)

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Properties

Quality Level

100

assay

≥96.0% (GC)

contains

~0.1% Drapex 39 as stabilizer

manufacturer/tradename

Wacker Chemie AG

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

Description

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

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pictograms

GHS02,GHS06,GHS05,GHS09

signalword

Danger

hcodes

H226,H301,H310 + H330,H314,H335,H410

pcodes

P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

95.0 °F - closed cup

flash_point_c

35 °C - closed cup

ppe

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

Regulatory Information

危险化学品

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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, reactions and biological evaluation of some new naphtho[2,1-b]furan derivatives bearing a pyrazole nucleus.

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)

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Global Trade Item Number

SKU	GTIN
21039-100G-F	04061838771247
21039-1KG-F	04061838771254
270296-2KG	04061826141892
270296-500G	04061835561896
10905-1KG	04061838687821
10905-25KG	04061836681883
10905-220KG	04061831828184