167606

3-Chloro-2-butanone

97%

• Linear Formula: CH₃CHClCOCH₃
• CAS Number: 4091-39-8
• Molecular Weight: 106.55
• Beilstein: 385637
• EC Number: 223-834-9
• MDL number: MFCD00000865
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850218
• NACRES: NA.22

Properties

• 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.)
• functional group: chloro
• SMILES string: CC(Cl)C(C)=O
• InChI: 1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3
• InChI key: OIMRLHCSLQUXLL-UHFFFAOYSA-N

Description

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.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H302
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P301 + P312
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 82.4 °F - closed cup
• Flash Point(C): 28 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves