1H-Isochromene-1,3(4H)-dione

Basic Information

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CAS Number

703-59-3

Molecular Formula

C9H6O3

Molecular Weight

162.14 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

140-142 °C

Boiling Point

161°C/1.5mmHg

Density

1.2599 (rough estimate)

Water Solubility

Decomposes in water.

Flash Point

159 °C

Refractive Index

1.5380 (estimate)

SMILES

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C1C2=CC=CC=C2C(=O)OC1=O

InChI

InChI=1S/C9H6O3/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-4H,5H2

InChIKey

AKHSBAVQPIRVAG-UHFFFAOYSA-N

LogP

0.9260999999999999

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

222

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

homophtalic anhydride
AMY15678
NSC-2825
MFCD00006894
EN300-21680
Isochroman-1,3-dione
1H-2-Benzopyran-1,3(4H)-dione
Benzoglutaric anhydride
Homophthalic acid anhydride
NSC-401693
2-benzopyran-1,3(4H)dione
AKOS000120712
1H-Isochromene-1,3(4H)-dione #
DZ8M2RM8MF
3,4-dihydro-1H-2-benzopyran-1,3-dione
HOMOPHTHALIC ANHYDRIDE
3,4-2H-Isocoumarin-3-one
H1346
NS00037049
EINECS 211-873-4
isochromane-1,3-dione
CS-W010863
NSC 2825
703-59-3
NSC2825
F21267
1H-Isochromene-1,3(4H)-dione
NSC 401693
UNII-DZ8M2RM8MF
DTXSID00220569
SY014662

MDL Number

MFCD00006894

Customs Code

2932999099

FAQ

What regulatory guidelines apply to 1H-Isochromene-1,3(4H)-dione (CAS: 703-59-3)?

1H-Isochromene-1,3(4H)-dione (CAS: 703-59-3) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA guidelines. Users must ensure compliance with these regulations for proper handling, storage, and disposal to prevent environmental and health hazards.

Are there alternatives to 1H-Isochromene-1,3(4H)-dione (CAS: 703-59-3) in synthesis?

Several alternatives can be used in the synthesis of 1H-Isochromene-1,3(4H)-dione (CAS: 703-59-3), including structurally similar compounds such as 1H-chromene-1,3(4H)-dione and its isomers. Common alternative reagents include various organic acids and esters. These alternatives may offer similar reactivity with different synthetic pathways.

What is the market or research trend for 1H-Isochromene-1,3(4H)-dione (CAS: 703-59-3)?

The market for 1H-Isochromene-1,3(4H)-dione (CAS: 703-59-3) is growing due to its applications in pharmaceuticals, flavor and fragrance industries, and as an intermediate in organic synthesis. Research trends focus on its derivatives and potential use in developing new drugs and materials. Price trends indicate a stable market with minor fluctuations driven by supply and demand.

How should waste containing 1H-Isochromene-1,3(4H)-dione (CAS: 703-59-3) be handled?

Waste containing 1H-Isochromene-1,3(4H)-dione (CAS: 703-59-3) should be managed carefully following hazardous waste regulations. Waste should be collected in appropriate containers, labeled, and stored separately. Incineration or professional waste disposal is recommended, with precautions taken to prevent environmental contamination. Environmental protection measures, such as neutralization and proper incineration, are crucial to ensure safe disposal.