167606

3-Chloro-2-butanone

97%

• Fórmula lineal: CH₃CHClCOCH₃
• Número de CAS: 4091-39-8
• Peso molecular: 106.55
• Beilstein/REAXYS Number: 385637
• EC Number: 223-834-9
• MDL number: MFCD00000865
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850218
• NACRES: NA.22

Propiedades

• assay: 97%
• form: liquid
• refractive index: n20/D 1.421 (lit.)
• bp: 114-117 °C (lit.)
• density: 1.055 g/mL at 25 °C (lit.)
• SMILES string: CC(Cl)C(C)=O
• InChI: 1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3
• InChI key: OIMRLHCSLQUXLL-UHFFFAOYSA-N

Descripción

General description

3-Chloro-2-butanone reacts with 1,4-dianion of acetophenone N-ethoxycarbonylhydrazone to yield pyrazoline derivatives.

Application

3-Chloro-2-butanone was used in production of chiral alcohols from acetophenone derivatives, β-ketoesters and N-Boc-3-pyrrolidinone by recombinant E. coli cells. It was used in the synthesis of carbene precursor, 3-aryl-4,5-dimethylthiazolium chloride.

Información de seguridad

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H302
• pcodes: P210 - P233 - P240 - P241 - P242 - P301 + P312
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 82.4 °F - closed cup
• flash_point_c: 28 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter