1,1,1-Triacetoxy-1lambda~5~,2-benziodoxol-3(1H)-one

Basic Information

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CAS Number

87413-09-0

Molecular Formula

C13H13IO8

Molecular Weight

424.14 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

130-133 °C

Boiling Point

40 °C

Density

1.369 g/mL at 25 °C

Flash Point

>221 °F

Solubility

Soluble in chloroform, acetone, acetonitrile and methylene chloride. Slightly soluble in ether and hexane.

SMILES

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O=C1OI(OC(C)=O)(OC(C)=O)(OC(C)=O)C2=CC=CC=C12

InChI

InChI=1S/C13H13IO8/c1-8(15)19-14(20-9(2)16,21-10(3)17)12-7-5-4-6-11(12)13(18)22-14/h4-7H,1-3H3

InChIKey

NKLCNNUWBJBICK-UHFFFAOYSA-N

LogP

1.9536999999999998

Topological Polar Surface Area

105.20000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

499

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 5.1 Class 5.1

Sensitiveness

Light Sensitive

Synonyms & References

English

Dess-Martin periodinane
(1,1,1-Triacetoxy)-1,1-dihydro-1,2-benziodoxol-3(1H)-one
1,1-Dihydro-1,1,1-triacetoxy-1,2-benzoiodooxol-3(1H)-one
Triacetoxyperiodinane
Dess-martin
1,1,1-Triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one
Dess Martin Periodinane
(1,1-diacetyloxy-3-oxo-1λ<sup>5</sup>,2-benziodoxol-1-yl) acetate
1,1,1-Tris(acetyloxy)-1,1-dihydro-1,2-benziodoxol-3(1H)-one
Dess-Martin Periodinane (Technical Grade)
Dess-Martin Periodnane
DMP
DMP (8-12% in Dichloromethane)
1,1,1-Triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one (8-12% in Dichloromethane)
1,2-Benziodoxol-3(1H)-one, 1,1,1-tris(acetyloxy)-1,1-dihydro- (9CI)
(1,1-Diacetoxy-3-oxo-1,2-benziodoxol-1-yl) acetate
Dess-Martin reagent
Martin's reagent
Reagents, Martin's

MDL Number

MFCD00130127

FAQ

What is 1,1,1-Triacetoxy-1lambda~5~,2-benziodoxol-3(1H)-one (CAS: 87413-09-0)?

1,1,1-Triacetoxy-1lambda~5~,2-benziodoxol-3(1H)-one (CAS: 87413-09-0) is an organic compound with the chemical formula C12H12O7. It is a white crystalline solid that is commonly used in chemical synthesis. The compound exhibits moderate solubility in polar solvents and is known for its stability under normal conditions. It is characterized by the presence of three acetoxy groups and a benziodoxolone ring structure, making it a valuable intermediate in various applications.

What are the main uses of 1,1,1-Triacetoxy-1lambda~5~,2-benziodoxol-3(1H)-one (CAS: 87413-09-0)?

1,1,1-Triacetoxy-1lambda~5~,2-benziodoxol-3(1H)-one (CAS: 87413-09-0) is primarily used in pharmaceutical research and development as a building block for synthesizing bioactive compounds. It also finds applications in organic chemistry for functional group transformations and in the production of specialty chemicals. Its utility in research settings makes it relevant for studies involving drug discovery and chemical reactivity.

Is 1,1,1-Triacetoxy-1lambda~5~,2-benziodoxol-3(1H)-one (CAS: 87413-09-0) safe?

1,1,1-Triacetoxy-1lambda~5~,2-benziodoxol-3(1H)-one (CAS: 87413-09-0) is generally considered safe when handled properly. However, it should be treated with caution, as it may cause mild irritation to the skin and eyes. Protective gloves, safety goggles, and a well-ventilated workspace are recommended. It is important to follow safety standards and guidelines for chemical handling to minimize exposure and ensure safe use.

How should 1,1,1-Triacetoxy-1lambda~5~,2-benziodoxol-3(1H)-one (CAS: 87413-09-0) be stored?

1,1,1-Triacetoxy-1lambda~5~,2-benziodoxol-3(1H)-one (CAS: 87413-09-0) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container away from moisture and light exposure. Storage at temperatures below 25°C is ideal, and the container should be made of a material compatible with the compound to prevent degradation or contamination.