1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]-2,5-pyrrolidinedione

Basic Information

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CAS Number

126695-58-7

Molecular Formula

C11H5F4N4O4

Molecular Weight

332.17 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

110.0 to 114.0 deg-C

SMILES

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C1CC(=O)N(C1=O)OC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)F

InChI

InChI=1S/C11H4F4N4O4/c12-6-5(7(13)9(15)10(8(6)14)17-18-16)11(22)23-19-3(20)1-2-4(19)21/h1-2H2

InChIKey

HCTLWQSYGIBOFM-UHFFFAOYSA-N

LogP

1.79626

Complexity

552

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

Stability

Light and Moisture Sensitive. Store in freezer

Synonyms & References

English

2,5-DIOXOPYRROLIDIN-1-YL 4-AZIDO-2,3,5,6-TETRAFLUOROBENZOATE
Benzoic acid, 4-azido-2,3,5,6-tetrafluoro-, 2,5-dioxo-1-pyrrolidinyl ester
4-Azido-2,3,5,6-tetrafluorobenzoic Acid N-Succinimidyl ester
4-N3Pfp-NHS ester
HY-126525
N-Succinimidyl 4-Azido-2,3,5,6-tetrafluorobenzoate;4-azido-2,3,5,6-tetrafluorobenzoic acid 2,5-dioxo-pyrrolidin-1-yl ester
ATFB-SE
CS-0105086
1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]pyrrolidine-2,5-dione
J-005422
ATFB SE
BCP30744
126695-58-7
N-Succinimidyl 4-Azido-2,3,5,6-tetrafluorobenzoate
N-succinimidyl 4-azidotet-rafluorobenzoate
(2,5-dioxopyrrolidin-1-yl) 4-azido-2,3,5,6-tetrafluorobenzoate
ATFB-OSu
AKOS025294243
S0952
FT-0617627
DTXSID40376317
MFCD00467437
HCTLWQSYGIBOFM-UHFFFAOYSA-N
SCHEMBL13509274
AS-76821
Succinimidyl-4-azido-2,3,5,6-tetrafluorobenzoate
T71667
Benzoic acid,4-azido-2,3,5,6-tetrafluoro-, 2,5-dioxo-1-pyrrolidinyl ester
ATFB, SE [4-Azido-2,3,5,6-tetrafluorobenzoic acid, succinimidyl ester]
MK-2461
N-Succinimidyl 4-Azi

MDL Number

MFCD00467437

FAQ

What are the physical and chemical properties of 1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 126695-58-7)?

1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 126695-58-7) is a crystalline compound with a molecular weight of approximately 517.91 g/mol. It is poorly soluble in water but soluble in organic solvents like DMSO and DMF. This compound is highly reactive due to the azido group and the presence of fluorine atoms, making it susceptible to hydrolysis and nucleophilic substitution reactions.

How is 1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 126695-58-7) typically synthesized?

1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 126695-58-7) can be synthesized via a multistep process involving the formation of a tetrafluorobenzoyl chloride, followed by its esterification with 2,5-pyrrolidinedione. The synthesis typically requires the use of anhydrous conditions and appropriate reagents to achieve high yield and selectivity.

What industries use 1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 126695-58-7)?

1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 126695-58-7) is primarily used in the pharmaceutical industry for its azido group, which can be used in medicinal chemistry for the development of drugs. It is also of interest in the polymer industry for its fluorinated backbone and in the semiconductor industry for its use in photoresists and other electronic applications.

What precautions should be taken when handling 1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 126695-58-7)?

When handling 1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 126695-58-7), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and guidelines.