168548

1,3-Dichloroacetone

≥95%

• Linear Formula: ClCH₂COCH₂Cl
• CAS Number: 534-07-6
• Molecular Weight: 126.97
• NACRES: NA.22
• PubChem Substance ID: 24850245
• UNSPSC Code: 12352100
• EC Number: 208-585-6
• MDL number: MFCD00000937
• Assay: ≥95%
• Form: solid

Properties

• vapor density: 4.38 (vs air)
• Quality Segment: 100
• 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

Description

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.

Safety Information

• pictograms: GHS06,GHS08,GHS05
• signalword: Danger
• hcodes: H300 + H310 + H330,H314,H341
• pcodes: P202 - P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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