227153

3-Chlor-2,4-pentandion

97%

• Synonym(e): 3-Chlor-acetylaceton
• Lineare Formel: CH₃COCHClCOCH₃
• CAS-Nummer: 1694-29-7
• Molekulargewicht: 134.56
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24853616
• EC Number: 216-902-4
• Beilstein/REAXYS Number: 605870
• MDL number: MFCD00009651
• Assay: 97%

Eigenschaften

• Quality Segment: 100
• assay: 97%
• refractive index: n20/D 1.483 (lit.)
• bp: 49-52 °C/18 mmHg (lit.)
• density: 1.1921 g/mL at 20 °C (lit.)
• functional group: chloro, ketone
• storage temp.: 2-8°C
• SMILES string: CC(=O)C(Cl)C(C)=O
• InChI: 1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
• InChI key: VLRGXXKFHVJQOL-UHFFFAOYSA-N

Beschreibung

General description

The tautomeric properties of 3-chloro-2,4-pentanedione were studied using gas electron diffraction (GED) and quantum chemical calculations.

Application

3-Chloro-2,4-pentanedione was used in the synthesis of tetrathiafulvenyl-acetylacetonate (TTFSacacH), precursor of novel redox-active ligands.

Sicherheitshinweise

• Piktogramme: GHS02,GHS07
• Signalwort: Warning
• Gefahrencodes: H226,H315,H319,H335
• Sicherheitshinweise: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklasse: 3 - Flammable liquids
• Was ist los?: WGK 3
• Flammpunkt (°F): 132.8 °F - closed cup
• Flammpunkt (°C): 56 °C - closed cup
• PSA (Persönliche Schutzausrüstung): Eyeshields, Gloves, type ABEK (EN14387) respirator filter