4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one

Basic Information

View in Editor

CAS Number

72150-22-2

Molecular Formula

C8H8O3

Molecular Weight

152.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

91.0 to 95.0 deg-C

Boiling Point

338°C at 760 mmHg

Density

1.366g/cm3

Flash Point

139.8°C

Refractive Index

1.558

SMILES

View in Editor

C1C2C3C=CC(C2C(=O)O1)O3

InChI

InChI=1S/C8H8O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h1-2,4-7H,3H2

InChIKey

KIAQKKYOUVIGII-UHFFFAOYSA-N

LogP

0.11280000000000001

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

246

Synonyms & References

English

4,10-dioxatricyclo[5.2.1.0,dec-8-en-3-one
72150-22-2
NSC323756
SCHEMBL3424413
4,10-Dioxatricyclo[5.2.1.0(2,6)]decan-8-en-3-one
BS-23184
MFCD24505967
4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
CS-0455169
NSC-323756
4,7-Epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3H)-one
DTXSID00317983
D3552
3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1(3H)-one
AC1L78ZZ
ACMC-209olx
AGN-PC-00G735
ANW-36163
CTK8B2227
SureCN3424413
4,10-dioxatricyclo[5.2.1.02?]dec-8-en-3-one

MDL Number

MFCD10566891

Customs Code

2932209090

FAQ

What is 4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one (CAS: 72150-22-2)?

4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one, also known as 4,7-epoxyisobenzofuranone, is a cyclic ketone with a unique epoxy group. It has a molecular formula of C11H10O3 and is used in various applications due to its structural complexity and reactivity.

What are the main uses of 4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one (CAS: 72150-22-2)?

4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one is primarily used in pharmaceuticals as a precursor for the synthesis of other compounds, and in the chemical industry for the production of dyes and pigments. It is also used in research for studying molecular structures and reactions.

Is 4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one (CAS: 72150-22-2) safe?

4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one is generally safe when handled with appropriate precautions. It should be stored in a cool, dry place away from direct sunlight and heat sources to prevent degradation. Proper protective equipment, such as gloves and goggles, should be worn during handling.

How should 4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one (CAS: 72150-22-2) be stored?

4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. The storage temperature should not exceed 25°C to maintain its stability and prevent decomposition. It is also important to keep it away from flammable materials and oxidizers.