1,3-Benzodioxole-5-carboxylic acid

Basic Information

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CAS Number

94-53-1

Molecular Formula

C8H6O4

Molecular Weight

166.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

229-231 °C

Boiling Point

254.32°C (rough estimate)

Density

1.3579 (rough estimate)

Flash Point

139.6℃

Refractive Index

1.5090 (estimate)

SMILES

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OC(=O)c1ccc2OCOc2c1

InChI

InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)

InChIKey

VDVJGIYXDVPQLP-UHFFFAOYSA-N

LogP

1.1134999999999997

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

192

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Benzo[d][1,3]dioxole-5-carboxylic acid
3,4-Methylenedioxybenzoic acid
Piperonylic acid, (3,4-Methylenedioxybenzoic acid)
3,4-Methylendioxy-benzoic acid
1-3-Benzodioxole-5-carboxylic acid~3,4-(Methylenedioxy)benzoic acid
Piperonylic acid
1,3-BENZODIOXOLE-5-CARBOXYLIC ACID
3,4-methylenedioxybenzenecarboxylic acid
5-benzodioxolecarboxylicacid
heliotropicacid
PIPEROYLICACID
RARECHEM AL BO 0210
3,4-(Methylenedioxy)benzoic Acid
Piperonylic acid (6CI, 7CI, 8CI)
1,3-Dioxaindane-5-carboxylic acid
2H-1,3-Benzodioxole-5-carboxylic acid
3,4-Dioxymethylenebenzoic acid
3,4-Methylenedioxybenzenecarboxylic acid
5-Benzodioxolecarboxylic acid
Heliotropic acid
NSC 10072
NSC 119055
Protocatechuic acid methylene ether
1,3-Benzodioxole-5-carboxylic Acid
1,3-Benzodioxole-5-carboxylic acid

MDL Number

MFCD00005830

Customs Code

29329970

FAQ

What is 1,3-Benzodioxole-5-carboxylic acid (CAS: 94-53-1)?

1,3-Benzodioxole-5-carboxylic acid (CAS: 94-53-1) is an organic compound with the chemical formula C8H6O4. It is a heterocyclic compound characterized by a benzodioxole ring substituted with a carboxylic acid group. This compound is known for its stability and is commonly used as an intermediate in chemical synthesis.

What are the main uses of 1,3-Benzodioxole-5-carboxylic acid (CAS: 94-53-1)?

1,3-Benzodioxole-5-carboxylic acid (CAS: 94-53-1) is primarily used in pharmaceutical research for the development of drug molecules. It also serves as a key intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. Its unique structure makes it valuable in chemical research and industrial applications.

Is 1,3-Benzodioxole-5-carboxylic acid (CAS: 94-53-1) safe?

1,3-Benzodioxole-5-carboxylic acid (CAS: 94-53-1) is generally considered safe when handled properly. However, it should be treated with care to avoid skin contact and inhalation. Safety data sheets recommend using protective gloves, goggles, and ensuring proper ventilation. It is important to follow standard laboratory safety protocols when working with this compound.

How should 1,3-Benzodioxole-5-carboxylic acid (CAS: 94-53-1) be stored?

1,3-Benzodioxole-5-carboxylic acid (CAS: 94-53-1) should be stored in a cool, dry, and dark place, away from moisture and strong light. It is best kept in a sealed container to prevent exposure to air. Storage at temperatures below 25°C is recommended to maintain stability and prolong shelf life.