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167479

Sigma-Aldrich

Chloroacetone

95%

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Synonym(s):
1-Chloropropan-2-one, Chloro-2-propanone
Linear Formula:
ClCH2COCH3
CAS Number:
Molecular Weight:
92.52
Beilstein/REAXYS Number:
605369
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

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.)

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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1 of 4

This Item
13818516315510905
vibrant-m

167479

Chloroacetone

vibrant-m

138185

Hydroxyacetone

vibrant-m

163155

Ethyl trichloroacetate

vibrant-m

10905

Chloroacetone

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

100

assay

95%

assay

90%

assay

97%

assay

≥96.0% (GC)

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

-

storage temp.

2-8°C

bp

120 °C (lit.)

bp

145-146 °C (lit.)

bp

168 °C (lit.)

bp

120 °C (lit.)

mp

−44.5 °C

mp

−17 °C (lit.)

mp

-

mp

-

General description

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

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). It was also used in the synthesis of meso-tetramethyl tetrakis-(4-phenoxy acetone)calix[4]pyrrole.

signalword

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

3 - Flammable liquids

wgk_germany

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


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L-Proline amide-catalyzed direct asymmetric aldol reaction of aldehydes with chloroacetone.
He L, et al.
Tetrahedron, 62(2), 346-351 (2006)
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
Bridget W Alligood et al.
The Journal of chemical physics, 135(3), 034302-034302 (2011-07-27)
We use a combination of crossed laser-molecular beam scattering experiments and velocity map imaging experiments to investigate the three primary photodissociation channels of chloroacetone at 193 nm: C-Cl bond photofission yielding CH(3)C(O)CH(2) radicals, C-C bond photofission yielding CH(3)CO and CH(2)Cl
Lin Shen et al.
The Journal of chemical physics, 135(19), 194305-194305 (2011-11-25)
The stationary and intersection structures on the S(0) and S(1) potential energy surfaces of CH(3)COCH(2)Cl have been determined by the CAS(10,8)/cc-pVDZ optimizations and their relative energies are refined by the CASPT2//CAS(10,8)/cc-pVDZ single-point calculations. Non-adiabatic molecular dynamics simulations were performed on
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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