1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one

Basic Information

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CAS Number

887144-94-7

Molecular Formula

C8H4F3IO2

Molecular Weight

316.02 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 Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

150-158 °C

Boiling Point

No data available

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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C1=CC=C2C(=C1)C(=O)OI2C(F)(F)F

InChI

InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H

InChIKey

XHEOXSQMBWJOKP-UHFFFAOYSA-N

LogP

2.9678000000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

254

Safety Information

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Hazard Statement

H228 Flammable solid
Flammable solids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one
1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one
1,2-BENZIODOXOLE,3,3-DIMETHYL-1-(TRIFLUOROMETHYL)-
1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one
Togni Reagent II
1-(trifluoromethyl)-1λ3,2-benziodoxol-3-one
Togni II
DHY074A7WG
C8H4F3IO2
Tongi Reagent II
1,2-Benziodoxol-3(1H)-one, 1-(trifluoromethyl)-
Togni's reagents, carbonyl compound-
Togni's reagents carbonyl compound [MI]
Acid-CF3 Togni reagent
G00065-Watson-Int
KSC912K7L
Molecular Weight: 316.02
Molecular Formula: C8H4F3IO2
Togni Reagent II (contains 60% Diatomaceous earth)
1-Trifluoromethyl-1,2-benzoiodoxol-3(1H)-one
1-(trifluoromethyl)-3H-1λ3,2-benziodaoxol-3-one
1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (ACI)
Togni reagent II
Togni's reagent 2
Togni's reagent II
1-(trifluoromethyl)-1lambda3,2-benziodoxol-3-one
1-(trifluoromethyl)-1lambda3,2-benziodoxol-3(1h)-one
AKOS015949461
1-(trifluoromethyl)-1lambda3-benzo[d][1,2]iodaoxol-3(1H)-one
887144-94-7
EN300-136055

MDL Number

MFCD18800706

FAQ

What regulatory guidelines apply to 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (CAS: 887144-94-7)?

1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (CAS: 887144-94-7) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and may require specific hazard communication such as P-listing under the United Nations Recommendations on the Transport of Dangerous Goods. Additionally, it is regulated under REACH in the European Union and may have specific FDA/EPA requirements for its use and handling in the United States.

Are there alternatives to 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (CAS: 887144-94-7) in synthesis?

In some applications, alternatives to 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (CAS: 887144-94-7) may include other substituted benziodoxoles or related heterocycles with similar functional groups. However, the choice of alternative depends on the specific requirements of the synthesis, such as reactivity, substituent compatibility, and desired properties.

What is the market or research trend for 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (CAS: 887144-94-7)?

The market trend for 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (CAS: 887144-94-7) indicates growing interest in its use as a versatile building block in organic synthesis, particularly in the development of pharmaceuticals and materials. Research is focusing on its synthesis, derivatization, and application in various chemical processes. However, market trends can vary based on regional regulations and economic factors.

How should waste containing 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (CAS: 887144-94-7) be handled?

Waste containing 1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (CAS: 887144-94-7) should be collected and disposed of in accordance with local and national regulations. It is advisable to neutralize the waste and then incinerate it or dispose of it through a professional waste disposal service. Environmental protection precautions include ensuring proper containment to prevent leaks and spills, and adhering to all relevant safety and environmental guidelines.