168548
1,3-Dichloroacetone
≥95%
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About This Item
Linear Formula:
ClCH2COCH2Cl
CAS Number:
Molecular Weight:
126.97
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
208-585-6
MDL number:
Assay:
≥95%
Form:
solid
vapor density
4.38 (vs air)
Quality Segment
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.
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.
signalword
Danger
Hazard Classifications
Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 2 Oral - Muta. 2 - Skin Corr. 1B
Storage Class
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
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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