N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide

Basic Information

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CAS Number

133745-75-2

Molecular Formula

C12H10FNO4S2

Molecular Weight

315.35 g/mol

EINECS

000-000-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Physical State

white

Melting Point

114-116 °C

Boiling Point

471.4±28.0 °C(Predicted)

Density

1.4466 (estimate)

Flash Point

110℃

Solubility

Very soluble in acetonitrile, dichloromethane or THF and less soluble in toluene.

Refractive Index

1.424

SMILES

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C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H

InChIKey

RLKHFSNWQCZBDC-UHFFFAOYSA-N

LogP

1.9507

pKa

-32.45±0.70(Predicted)

Topological Polar Surface Area

71.52000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

461

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SMR001224404
N-(benzenesulfonyl)-N-fluorobenzenesulfonamide
BDBM80338
n-fluorodibenzene sulfonamide
Q27256818
n-fluorobenzenesulphonimide
N-Fluorobenzenesulfonmide
bis(phenylsulfonyl)fluoroamine
AM81140
N-fluoro-N-(phenylsulfonyl)benzene-sulfonamide
F0335
A26032
AN-584/43417535
MLS001359884
C12H10FNO4S2
38TGL3A00I
N-fluoro-bis(phenylsulfonyl)amine
N-benzenesulfonyl-N-fluorobenzenesulfonamide
(18F)-N-fluorobenzenesulfonimide
NS00005118
N-Fluorobenzenesulfonimide [MI]
N-Fluorobenzensulfonimide
N-(benzenesulfonyl)-S-phenylfluoranesulfonamido
N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide #
InChI=1/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
N-Fluoro Dibenzenesulfonic amide
N-Fluorodibenzenesulfonimide
NFSI
N-fluorodi(benzenesulfonyl)-amine
BCP00988
N-fluoranyl-N-(phenylsulfonyl)benzenesulfonamide

MDL Number

MFCD00144885

EC Number

000-000-0

Customs Code

29242990

FAQ

What is N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide (CAS: 133745-75-2)?

N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide (CAS: 133745-75-2) is an organic compound with the chemical formula C13H11FNO4S2. It features a sulfonamide group with fluorine and phenylsulfonyl substituents, making it a key intermediate in chemical synthesis. The compound is typically a white solid with moderate solubility in polar solvents. Its structure includes two sulfonamide functionalities, enhancing its reactivity in pharmaceutical and industrial applications.

What are the main uses of N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide (CAS: 133745-75-2)?

N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide (CAS: 133745-75-2) is primarily used in pharmaceutical research as a building block for drug development, particularly in compounds requiring fluorine substitutions. It also serves in organic synthesis for creating sulfonamide derivatives and in industrial processes for specialty chemical manufacturing. Its unique structure makes it valuable in developing agrochemicals and materials science applications.

Is N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide (CAS: 133745-75-2) safe?

N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide (CAS: 133745-75-2) requires careful handling due to its potential irritancy and reactivity. Safety data sheets (SDS) recommend using protective gloves, goggles, and ventilation to minimize exposure. While it is not classified as highly toxic, proper safety protocols are essential to ensure workplace and environmental safety when working with this compound.

How should N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide (CAS: 133745-75-2) be stored?

N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide (CAS: 133745-75-2) should be stored in a cool, dry, and dark place to maintain stability. Keep it in a sealed, airtight container made of glass or high-density polyethylene (HDPE) to prevent moisture ingress. Avoid exposure to heat, light, and incompatible materials. Store in a well-ventilated area, and follow proper chemical storage guidelines to ensure safety and longevity.