159255

2,2′,4′-Trichloroacetophenone

97%

• Synonym(s): ω,2,4-Trichloroacetophenone, 2,4-Dichlorophenacyl chloride
• Linear Formula: Cl₂C₆H₃COCH₂Cl
• CAS Number: 4252-78-2
• Molecular Weight: 223.48
• Beilstein: 957098
• EC Number: 224-218-2
• MDL number: MFCD00000934
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849802
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: solid
• bp: 130-135 °C/4 mmHg (lit.)
• mp: 47-54 °C (lit.)
• SMILES string: ClCC(=O)c1ccc(Cl)cc1Cl
• InChI: 1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
• InChI key: VYWPPRLJNVHPEU-UHFFFAOYSA-N

Description

General description

2,2′,4′-Trichloroacetophenone is an α-haloketone. It undergoes reduction to 2′,4′-dichloroacetophenone by glutathione-dependent cytosolic enzymes present in the liver, kidney and brain. It participates in the microwave induced N-alkylation of several azoles to afford the corresponding 1-(2′,4′-dichlorophenacyl)azoles.

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H315 - H317 - H318 - H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 230.0 °F - closed cup
• Flash Point(C): 110 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves