4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

Basic Information

View in Editor

CAS Number

826-62-0

Molecular Formula

C9H8O3

Molecular Weight

164.16 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

163.0 to 166.0 deg-C

Boiling Point

251.61°C (rough estimate)

Density

1.2132 (rough estimate)

Flash Point

163.8°C

Solubility

diethyl ether: soluble0.1g/10 mL, clear, colorless

Refractive Index

1.5260 (estimate)

SMILES

View in Editor

C1C2C=CC1C3C2C(=O)OC3=O

InChI

InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2

InChIKey

KNDQHSIWLOJIGP-UHFFFAOYSA-N

LogP

0.5080999999999999

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

277

Safety Information

View Safety Information

GHS Hazard Pictograms

H317

H318

H334

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Sensitiveness

prone to moisture absorption

Synonyms & References

English

bicyclo[2.2.1]hept-5-en-2,3-dicarboxylic anhydride
55636-72-1
SY067019
CS-W017913
cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride
N0331
DTXCID8027456
4-OXATRICYCLO[5.2.1.0(2),?]DEC-8-ENE-3,5-DIONE
5-Norbornene-endo-2,3-dicarboxylic anhydride
NSC-110659
Bicyclo[2.2.1]hept-5-ene-exo-2,3-dicarboxylic Anhydride
NSC-3999
Nadic anhydride
bicyclo[2.2.1]-5-heptene-2,3-dicarboxylic anhydride
endo,cis-5-Norbornene-2,3-dicarboxylic anhydride
FT-0655593
bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid anhydride
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-
NSC-102277
Bicyclo[2.2.1]-hept-5-ene-2,3-dicarboxylic anhydride
Anhydrid kyseliny 3,6-endomethylen-.delta.(sup 4)-tetrahydroftalove
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4S,7R,7aS)-rel-
Bicyclo[2,2,1]5-heptene-2,3-dicarboxylic anhydride
FT-0673051
Himic anhydride
NSC110659
endo,3-dicarboxylic anhydride
Tox21_300273
3,6-Endomethylene-.DELTA.4-tetrahydrophthalic anhydride
BICYCLO(2.2.1)-HEPT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE
Endomethylenetetrahydrophthalic anhydride

MDL Number

MFCD00151106

FAQ

What is 4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 826-62-0)?

4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 826-62-0) is a heterocyclic organic compound containing an oxygen atom in its ring structure. It is a cyclic ketone with molecular formula C8H12O3 and exhibits specific chemical and physical properties, including solubility in organic solvents and stability under certain conditions. This compound is often used as an intermediate in chemical synthesis.

What are the main uses of 4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 826-62-0)?

4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 826-62-0) is primarily used as a synthetic intermediate in the production of pharmaceuticals and agrochemicals. It also finds applications in research for developing new compounds and in industrial processes for organic synthesis due to its unique structure and reactivity.

Is 4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 826-62-0) safe?

4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 826-62-0) is generally considered safe when handled properly. However, it should be used with appropriate protective measures, such as gloves and safety goggles, to avoid skin or eye contact. Safety data sheets (SDS) recommend following standard chemical handling protocols to ensure safe use in laboratory and industrial settings.

How should 4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 826-62-0) be stored?

4-Oxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS: 826-62-0) should be stored in a cool, dry, and well-ventilated area away from light. It is typically kept in a sealed container to maintain stability and prevent degradation. Storage conditions should avoid exposure to moisture and incompatible substances to ensure product integrity and safety.