1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy)-

Basic Information

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CAS Number

1829-26-1

Molecular Formula

C9H7IO4

Molecular Weight

306.06 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(=O)OI1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C9H7IO4/c1-6(11)13-10-8-5-3-2-4-7(8)9(12)14-10/h2-5H,1H3

InChIKey

XPGGCSZYAKTCKR-UHFFFAOYSA-N

LogP

1.9261

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

266

Synonyms & References

English

1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy)-
(3-oxo-1λ<sup>3</sup>,2-benziodoxol-1-yl) acetate
1-Acetoxy-1,2-benziodoxol-3-(1H)-one
SCHEMBL2840019
1-acetoxy-1,2-benziodoxolin-3-one
3-OXO-1?(3),2-BENZIODAOXOL-1-YL ACETATE
AKOS032946727
CS-W001481
3-oxo-3H-1lambda3,2-benziodaoxol-1-yl acetate
SY316309
S11196
CS-17307
(3-oxo-1lambda3,2-benziodoxol-1-yl) acetate
AB91378
(3-oxo-1$l^{3,2-benziodoxol-1-yl) acetate
EN300-342356
3-oxo-1l3-benzo[d][1,2]iodaoxol-1(3H)-yl acetate
SCHEMBL2840020
1829-26-1
1-Acetoxy-1,2-benziodoxol-3(1H)-one
BAA82926
1-Acetoxy-1,2-benziodoxol-3-one
MFCD18909744
DTXSID40411797
BCP32219

MDL Number

MFCD18909744

FAQ

What is 1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy-) (CAS: 1829-26-1)?

1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy-) (CAS: 1829-26-1) is an aromatic organic compound. It is a derivative of benziodoxole with an acetoxy group attached to the 1-position. The compound has a molecular formula of C8H8O3 and appears as a white or off-white crystalline solid. It has a melting point around 130-132°C and is soluble in common organic solvents like ethanol and acetone.

What are the main uses of 1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy-) (CAS: 1829-26-1)?

1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy-) (CAS: 1829-26-1) is primarily used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It also serves as a chemical intermediate in the production of dyes and other organic compounds. Its role in research includes use as a chromogenic reagent and as a component in various analytical procedures.

Is 1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy-) (CAS: 1829-26-1) safe?

1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy-) (CAS: 1829-26-1) is generally considered safe when handled with proper precautions. However, it should be used in a well-ventilated area and appropriate protective equipment should be worn. Prolonged exposure to the eyes or skin should be avoided. It is important to follow safety guidelines and wear chemical-resistant gloves and safety goggles during handling.

How should 1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy-) (CAS: 1829-26-1) be stored?

1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy-) (CAS: 1829-26-1) should be stored at a temperature below 30°C to maintain its stability. It should be kept in a cool, dry place away from direct sunlight and sources of heat. The compound should be stored in a sealed container made of appropriate materials to prevent degradation. It is advisable to store it in a fume hood or with adequate ventilation to minimize the risk of exposure.