17994-23-9

Basic information

• Product Name: 4,5-dichloro-1,3-dioxol-2-one
• CAS NO: 17994-23-9
• Molecular Formula: C₃Cl₂O₃
• Molecular Weight: 154.9363
• Mol File: 17994-23-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 111.5°C at 760 mmHg
• Flash Point: 38.4°C
• Density: 1.8g/cm³
• Vapor Pressure: 22.7mmHg at 25°C
• Refractive Index: 1.533
• CAS DataBase Reference: 4,5-dichloro-1,3-dioxol-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5-dichloro-1,3-dioxol-2-one(17994-23-9)
• EPA Substance Registry System: 4,5-dichloro-1,3-dioxol-2-one(17994-23-9)

Safety Data

• Hazardous Substances Data: 17994-23-9(Hazardous Substances Data)

Usage

General Description

4,5-dichloro-1,3-dioxol-2-one is a chemical compound with the molecular formula C3H2Cl2O3. It is a cyclic ester that contains two chlorine atoms and a dioxolane ring. 4,5-dichloro-1,3-dioxol-2-one is used in organic synthesis as a reagent for the introduction of a chlorine atom into organic molecules, specifically in the synthesis of pharmaceuticals and agrochemicals. It can also be used as a starting material for the preparation of various functionalized compounds. Additionally, 4,5-dichloro-1,3-dioxol-2-one has been studied for its potential antimicrobial and anticancer properties, making it a compound of interest in the field of medicinal chemistry. However, it is important to handle this compound with caution as it is considered hazardous and may cause irritation to the skin, eyes, and respiratory system.

Upstream product

• 22432-68-4 tetrachloroethylene carbonate 

Downstream Products

• 89-91-8 Methyl dimethoxyacetate 
• 133358-05-1 C₃₂H₁₈Cl₂O₄ 
• 133357-88-7 C₂₆H₁₈Cl₂O₆ 
• 88195-11-3 C₂₆H₁₈Cl₂O₄ 
• 157238-71-6 7-<3-(benzyloxy)cyclobutylidene>bicyclo<2.2.1>hept-5-ene-2,3-dione 
• 20389-20-2 Octahydroxycyclobutane 
• 35436-21-6 1-Chloro-2,3-dimethyl-cycloprop-2-enecarbonyl chloride 

Relevant articles and documents

1,2,4,6-CYCLOHEPTATETRAENE: THE KEY INTERMEDIATE IN ARYLCARBENE INTERCONVERSIONS AND RELATED C7H6 REARRANGEMENTS

Thermolysis or photolysis of phenyldiazomethane (2) produces phenylmethylene (3), which ring-expands to give 1,2,4,6-cycloheptatetraene (6).Spectroscopic and chemical evidence rule out bicyclo(4.1.0)hepta-2,4,6-triene (4), cycloheptatrienylidene (5), and bicyclo(3.2.0)hepta-1,3,6-triene (11) intermediates.The strained allene in cycloheptatetraene (6) exhibits infrared absorption at 1824 and 1816 cm-1.Deuterium substitution produces the expected 10-cm-1 shift in the allene absorption.Fluorine or chlorine substitution substantially enhances the allene absorption intensity.Deuterium labeling studies reveal that the intramolecular chemistry of cycloheptatetraene (6) involves reversible thermal or photochemical equilibriation with phenylmethylene (3).The intermolecular chemistry of 6 involves dimerization.At temperatures as low as 10 K, 6 forms a labile (2+2) dimer,7, which undergoes thermally allowed, electrocyclic ring opening to give heptafulvalene (8) upon warming to room temperature.The rearrangements of 7-acetoxynorbornadiene (9), 2-diazobicyclo(3.2.0)hepta-3,6-diene (31), and 8-diazobicyclo(2.2.2)octa-2,5-dien-7-one (33) all involve cycloheptatetraene (6) intermediates.