69711-44-0

Basic information

• Product Name: 1,4-DICHLORO-3-BUTEN-2-ONE
• Synonyms: 1,4-DICHLORO-3-BUTEN-2-ONE;1,4-Dichlorobut-3-en-2-one
• CAS NO: 69711-44-0
• Molecular Formula: C4H4Cl2O
• Molecular Weight: 138.97996
• Mol File: 69711-44-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 192.3 °C at 760 mmHg
• Flash Point: 74.4 °C
• Appearance: /
• Density: 1.286 g/cm³
• Vapor Pressure: 0.492mmHg at 25°C
• Refractive Index: 1.473
• CAS DataBase Reference: 1,4-DICHLORO-3-BUTEN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-DICHLORO-3-BUTEN-2-ONE(69711-44-0)
• EPA Substance Registry System: 1,4-DICHLORO-3-BUTEN-2-ONE(69711-44-0)

Safety Data

• Hazardous Substances Data: 69711-44-0(Hazardous Substances Data)

Usage

General Description

1,4-dichloro-3-buten-2-one, also known as dichloroacetylacetone, is a chemical compound with the molecular formula C4H4Cl2O. It is a colorless, flammable liquid with a pungent odor, and it is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is also used as a reagent in organic chemistry reactions, particularly in the formation of carbon-carbon and carbon-nitrogen bonds. The compound is classified as a hazardous substance, as it is irritant to the skin, eyes, and respiratory system, and it may cause adverse health effects if it is inhaled, ingested, or comes into contact with the skin. Therefore, proper safety precautions should be taken when handling and using 1,4-dichloro-3-buten-2-one.

InChI:InChI=1/C4H4Cl2O/c5-2-1-4(7)3-6/h1-2H,3H2/b2-1+

Upstream product

• 79-04-9 chloroacetyl chloride 

Downstream Products

• 146778-74-7 1,4-dichloro-(1E)-buten-3-ol 

Relevant articles and documents

Chemical process

An improved process for the preparation of 3-substituted thiophenes. The thiophenes are useful for the preparation of penicillins and cephalosporins. The process is for the preparation of a thiophene of formula (I): STR1 where R1 represents a carboxylic acid group, or an ester or amide thereof or a nitrile group; R2 represents a group suitable for use as an α-substituent in the side-chain of a penicillin or cephalosporin; which comprises treating under basic conditions a compound of formula (II): STR2 wherein X represents halogen or optionally functionalized hydroxyl, Y represents halogen, hydroxyl, or alkoxy; with a source of nucleophilic sulphur ionically bound to a polymeric support.