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168548

Sigma-Aldrich

1,3-Dichloroacetone

≥95%

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About This Item

Linear Formula:
ClCH2COCH2Cl
CAS Number:
Molecular Weight:
126.97
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor density

4.38 (vs air)

Quality Level

vapor pressure

<0.1 mmHg ( 20 °C)

Assay

≥95%

form

solid

bp

173 °C (lit.)

mp

39-41 °C (lit.)

solubility

alcohol: very soluble
diethyl ether: very soluble
water: soluble

density

1.383 g/mL at 25 °C (lit.)

functional group

chloro
ketone

storage temp.

2-8°C

SMILES string

ClCC(=O)CCl

InChI

1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2

InChI key

SUNMBRGCANLOEG-UHFFFAOYSA-N

General description

1,3-Dichloroacetone has been identified as a metabolite of 1,3-dichloropropanol by TLC. Kinetics of the reversible hydration of 1,3-dichloroacetone have been studied spectrophotometrically in solutions of water in dioxan and in acetonitrile.

1,3-dichloroacetone is a dihaloketone derivative used as a reagent in the synthesis of complex multicyclic peptides.

Application

1,3-Dichloroacetone was used as acceptor substrate in the cross-aldol reaction with donor substrates such as acetone, cyclopentanone and cyclohexanone.

Signal Word

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 2 Oral - Muta. 2 - Skin Corr. 1B

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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