(2,2-Difluoro-1,3-benzodioxol-5-yl)acetonitrile

Basic Information

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CAS Number

68119-31-3

Molecular Formula

C9H5F2NO2

Molecular Weight

197.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

249.4°C at 760 mmHg

Density

1.43±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

104.6±27.3 ºC,

SMILES

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C1=CC2=C(C=C1CC#N)OC(O2)(F)F

InChI

InChI=1S/C9H5F2NO2/c10-9(11)13-7-2-1-6(3-4-12)5-8(7)14-9/h1-2,5H,3H2

InChIKey

OGDSGFSPCQGELG-UHFFFAOYSA-N

Complexity

273

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

2-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)ACETONITRILE
MFCD09923942
2-(2,2-difluoro-1,3-dioxaindan-5-yl)acetonitrile
(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YL)-ACETONITRILE
PB10779
(2,2-difluoro-1,3-benzodioxo1-5-yl)-acetonitrile
5-(Cyanomethyl)-2,2-Difluoro-1,3-benzodioxole
BCP14246
2,2-Difluorobenzo[d][1,3]dioxole-5-acetonitrile
2-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)ACETONITRILE
68119-31-3
J-506793
2,2-difluoro-benzo[1,3]dioxol-5-yl-acetonitrile
DTXSID401255676
2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile (Benzodiaxol carbonitrile)
DS-9354
SY040591
1,3-Benzodioxole-5-acetonitrile, 2,2-difluoro-
CS-M2546
SCHEMBL351790
AKOS006312508
A867126
(2,2-Difluoro-1,3-benzodioxol-5-yl)acetonitrile
(2,2-difluoro-1,3-benzodioxol-5-yl)-acetonitrile
2,2-Difluoro-1,3-benzodioxole-5-acetonitrile
2-(2,2-DIFLUORO-2H-1,3-BENZODIOXOL-5-YL)ACETONITRILE
EN300-262384
2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile
1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YL)-CYCLOPROPANECARBONITRILE
2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile
SureCN351790

MDL Number

MFCD09923942

FAQ

What regulatory guidelines apply to (2,2-Difluoro-1,3-benzodioxol-5-yl)acetonitrile (CAS: 68119-31-3)?

This compound is subject to regulatory guidelines under the GHS (Global Harmonized System of Classification and Labelling of Chemicals), which includes classification for physical hazards, health hazards, and environmental hazards. Additionally, it must comply with REACH regulations in the European Union, which require registration of substances above a certain tonnage and assessment of potential risks to human health and the environment. In the United States, it is regulated by the FDA for pharmaceuticals and the EPA for environmental protection and worker safety.

Are there alternatives to (2,2-Difluoro-1,3-benzodioxol-5-yl)acetonitrile (CAS: 68119-31-3) in synthesis?

While (2,2-Difluoro-1,3-benzodioxol-5-yl)acetonitrile is a specific compound, there are other acetonitriles and related benzodioxoles that can serve as alternatives in synthesis, such as (3,3-Difluoro-1,2-benzodioxol-5-yl)acetonitrile or (1,3-Benzodioxol-5-yl)acetonitrile. These compounds may offer similar properties or can be used as reagents in different reaction pathways.

What is the market or research trend for (2,2-Difluoro-1,3-benzodioxol-5-yl)acetonitrile (CAS: 68119-31-3)?

Research trends indicate increasing interest in (2,2-Difluoro-1,3-benzodioxol-5-yl)acetonitrile for its potential in pharmaceuticals and material science, particularly due to its unique chemical structure. Market trends suggest growing demand in specialized industries, with a focus on medical applications and developing new synthetic routes. Emerging studies are exploring its use in drug discovery and as a building block for complex molecules.

How should waste containing (2,2-Difluoro-1,3-benzodioxol-5-yl)acetonitrile (CAS: 68119-31-3) be handled?

Waste containing (2,2-Difluoro-1,3-benzodioxol-5-yl)acetonitrile should be handled in compliance with local and national regulations. It is advisable to collect the waste in appropriate containers and dispose of it through professional waste disposal services. Incineration is a common method for disposal, ensuring that the waste is destroyed in an environmentally controlled manner. Additional precautions include ensuring proper personal protective equipment (PPE) is used and that the waste is not released into the environment. Environmental protection measures should be followed to prevent contamination.