4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile

Basic Information

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CAS Number

131341-86-1

Molecular Formula

C12H6F2N2O2

Molecular Weight

248.19 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

Basic Physical Properties

Melting Point

199.4°

Boiling Point

420.4°C at 760 mmHg

SMILES

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N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

382

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 in rats (mg/kg): >2000 orally; >2000 dermally; LC50 (4 hr) in rats: >2600 mg/m3 (Gehmann)

Synonyms & References

English

4-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)-1H-pyrrole-3-carbonitrile
4-(2,2-difluoro-1,3-benzdioxol-4-yl)-1h-pyrrole-3-carbonitrile
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1h-pyrrole-3-carbonitril
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1h-pyrrole-3-carbonitrile
cga173506
CELEST
MAXIM
1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-
Fludioxonil
Fludioxnil
FLUDIOXONIL ANALYTICAL STANDARD
Fludioxonil Solution
4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
Geoxe
Savior
Scholar
MaxiM PSP
Beret Gold
4-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)-1H-pyrrole-3-carbonitrile

MDL Number

MFCD01631158

FAQ

What is 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile (CAS: 131341-86-1)?

4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile is a synthetic organic compound with the CAS number 131341-86-1. It is characterized by a pyrrole ring substituted with a 2,2-difluoro-1,3-benzodioxole group and a nitrile functional group. This compound is known for its potential applications in chemical research and pharmaceutical development due to its unique structural features and reactivity profile.

What are the main uses of 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile (CAS: 131341-86-1)?

4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile is primarily used in pharmaceutical research as a building block for the synthesis of drug candidates. It may also find applications in organic chemistry for developing new materials and in the study of molecular interactions. Its use in food and industrial sectors is limited, and it is typically handled in controlled laboratory environments.

Is 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile (CAS: 131341-86-1) safe?

The safety of 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile depends on its handling and exposure conditions. It is generally considered hazardous due to its chemical reactivity and potential toxicity. Proper safety measures, including the use of personal protective equipment and working in a well-ventilated area, are essential. It should be stored and handled according to standard chemical safety protocols to minimize risks.

How should 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile (CAS: 131341-86-1) be stored?

4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile should be stored in a cool, dry, and dark place, away from moisture and incompatible substances. It is typically kept in a sealed container at a temperature below 25°C. Due to its chemical nature, it requires careful handling and storage to maintain stability and prevent degradation.