1,3-Benzodioxol-2-one

Basic Information

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CAS Number

2171-74-6

Molecular Formula

C7H4O3

Molecular Weight

136.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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C1=CC=C2C(=C1)OC(=O)O2

InChI

InChI=1S/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

InChIKey

NZPSDGIEKAQVEZ-UHFFFAOYSA-N

LogP

1.386

Topological Polar Surface Area

43.35 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

139

Synonyms & References

English

CS-0187310
Carbonic acid, cyclic o-phenylene ester
AKOS001160509
EN300-21286
J-014255
o-Phenylene carbonate
C7H4O3
Benzo[d][1,3]dioxol-2-one
BENZO[1,3]DIOXOL-2-ONE
1,3-benzodioxol-2-on
SCHEMBL339615
Catecholcarbonate
2H-1,3-benzodioxol-2-one
1,3-dioxaindan-2-one
Pyrocatechol carbonate
1, 3-benzodioxol-2-one
A815627
LK7FZ7X9DG
DS-16240
NZPSDGIEKAQVEZ-UHFFFAOYSA-N
1,3-Benzodioxol-2-one
FT-0656396
DTXSID3062231
MFCD00129796
InChI=1/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4
FluorescentBrightener87
O11687
HMS1753M10
2171-74-6
NS00026946
EINECS 218-521-9

MDL Number

MFCD00129796

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 1,3-Benzodioxol-2-one (CAS: 2171-74-6)?

1,3-Benzodioxol-2-one (CAS: 2171-74-6) is a crystalline solid with a molecular weight of approximately 158.14 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is relatively stable but can react with strong bases or acids. Its pKa value is around 13.5.

How is 1,3-Benzodioxol-2-one (CAS: 2171-74-6) typically synthesized?

1,3-Benzodioxol-2-one (CAS: 2171-74-6) can be synthesized via the condensation of 2-hydroxybenzaldehyde with phthalic anhydride. The reaction is typically catalyzed by an acid, and the yield is around 85%. Selectivity and purity can be enhanced by using carefully controlled reaction conditions.

What industries use 1,3-Benzodioxol-2-one (CAS: 2171-74-6)?

1,3-Benzodioxol-2-one (CAS: 2171-74-6) is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry for producing specialty polymers with unique properties. Additionally, it is used in the production of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 1,3-Benzodioxol-2-one (CAS: 2171-74-6)?

When handling 1,3-Benzodioxol-2-one (CAS: 2171-74-6), it is essential to wear personal protective equipment (PPE) such as goggles, gloves, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be handled using appropriate spill kits or neutralizing agents. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.