ChemicalBook > CAS DataBase List > 4-NITROBENZENESULFONYL FLUORIDE

4-NITROBENZENESULFONYL FLUORIDE

Product Name: 4-NITROBENZENESULFONYL FLUORIDE
CAS No.: 349-96-2
Chemical Name: 4-NITROBENZENESULFONYL FLUORIDE
Synonyms: 4-NITROBENZENESULFONYL FLUORIDE;4-Nitrobenzenesulphonyl fluoride;Benzenesulfonylfluoride, 4-nitro-;4-Nitrobenzene-1-sulfonyl fluoride;4-Nitrobenzenesulfonyl fluoride,99%;4-NITROBENZENESULFONYL FLUORIDE 99%;4-Nitrobenzenesulfonyl fluoride, 99% 5GR
CBNumber: CB2765444
Molecular Formula: C6H4FNO4S
Formula Weight: 205.16
MOL File: 349-96-2.mol

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4-NITROBENZENESULFONYL FLUORIDE Property

Melting point:: 76-80 °C
Boiling point:: 305.1±25.0 °C(Predicted)
Density: 1.5663 (estimate)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
form: Crystalline Powder
color: Yellow

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Safety

Hazard Codes: C
Risk Statements: 34
Safety Statements: 45-36/37/39-26-27
RIDADR: 1759
WGK Germany: 3
HazardClass: 8
PackingGroup: III
HS Code: 29049090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P363Wash contaminated clothing before reuse.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: ALD00036
Product name: 4-Nitrobenzenesulfonyl fluoride
Purity: 95%
Packaging: 1g
Price: $156
Updated: 2025/07/31

TRC

Product number: N493540
Product name: 4-Nitrobenzenesulfonyl fluoride
Packaging: 1g
Price: $115
Updated: 2021/12/16

Usbiological

Product number: 285930
Product name: 4-Nitrobenzenesulfonyl Fluoride
Packaging: 1g
Price: $337
Updated: 2021/12/16

Matrix Scientific

Product number: 090691
Product name: 4-Nitrobenzene-1-sulfonyl fluoride
Purity: 95+%
Packaging: 5g
Price: $115
Updated: 2021/12/16

SynQuest Laboratories

Product number: 8662-3-02
Product name: 4-Nitrobenzenesulfonyl fluoride
Packaging: 250mg
Price: $40
Updated: 2021/12/16

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4-NITROBENZENESULFONYL FLUORIDE Chemical Properties,Usage,Production

Chemical Properties

yellow crystalline powder

Uses

Sulfonyl fluoride motif can be used as a connector for the assembly of -SO₂- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.

Uses

4-Nitrobenzenesulfonyl Fluoride is a protein modifying agent shown to be specific for tyrosine.

reaction suitability

reaction type: click chemistry

Synthesis

98-74-8

349-96-2

The general procedure for the synthesis of p-nitrobenzene methanesulfonyl fluoride from 4-nitrobenzene-1-sulfonyl chloride was as follows: potassium fluoride (KF, 26.0 g, 451 mmol) and 18-crown-6 (1.2 g, 4.5 mmol) were added to a 500 mL solution of 4-nitrobenzene-1-sulfonyl chloride (20.0 g, 90.2 mmol) in acetonitrile (CH3CN). The reaction mixture was stirred at room temperature for 24 h before the solvent was evaporated to dryness by rotary evaporator. Subsequently, ethyl acetate (EtOAc, 600 mL) was added to the residue for dissolution. The resulting solution was washed sequentially with deionized water (H2O, 300 mL × 3) and saturated brine (300 mL). The organic layer was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated in vacuum to give p-nitrobenzene methanesulfonyl fluoride (17.4 g, 94% yield) as a yellow solid with a melting point of 76-77 °C. Thin layer chromatography (TLC) showed an Rf value of 0.63 (Expanding agent: hexane/ethyl acetate = 6/4). Nuclear magnetic resonance hydrogen spectrum (1H NMR, 400MHz, CDCl3): δ8.47 (d, J=8.7Hz, 2H, aromatic-H), 8.25 (d, J=8.7Hz, 2H, aromatic-H); nuclear magnetic resonance carbon spectrum (13C NMR, 100MHz, CDCl3): δ151.8 (C), 138.2 (d, J=26.7Hz (C), 130.0 (CH), 124.9 (CH); nuclear magnetic resonance fluorine spectrum (19F NMR, 376MHz, CDCl3): δ65.1. infrared spectrum (IR, KBr): 3105,2872,1951,1818,1613,1540,1420,1354,1314,1215 cm-1. high resolution mass spectrometry (HRMS) calculated values C (HRMS) calculated value of C6H5FNO4S ([M+H]+) was 205.9923 and measured value was 205.9918.

References

[1] Tetrahedron, 2016, vol. 72, # 1, p. 58 - 68
[2] ACS Combinatorial Science, 2018, vol. 20, # 11, p. 672 - 680
[3] Journal of Fluorine Chemistry, 2013, vol. 145, p. 35 - 40
[4] Organic and Biomolecular Chemistry, 2017, vol. 15, # 45, p. 9685 - 9695
[5] Journal of Organic Chemistry, 2013, vol. 78, # 22, p. 11262 - 11270

4-NITROBENZENESULFONYL FLUORIDE Preparation Products And Raw materials

Raw materials

Preparation Products

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4-NITROBENZENESULFONYL FLUORIDE Suppliers

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View Lastest Price from 4-NITROBENZENESULFONYL FLUORIDE manufacturers

Career Henan Chemical Co

Product: 4-NITROBENZENESULFONYL FLUORIDE 349-96-2
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: Customized
Release date: 2020-03-06

349-96-2, 4-NITROBENZENESULFONYL FLUORIDERelated Search:

MEFLUIDIDE SULFURYL FLUORIDE Trifluoromethanesulfonyl chloride 3-Nitrobenzenesulfonyl fluoride O-NITROBENZENESULFONYL FLUORIDE 4-Chloro-3-nitrobenzenesulfonyl fluoride Sulfanilyl fluoride 4-NITROTHIOPHENOL METHANESULFONYL FLUORIDE 4-NITROBENZENESULFONYL FLUORIDE BENZENESULFONYL FLUORIDE

4-Nitrobenzenesulfonyl fluoride,99%

4-Nitrobenzenesulfonyl fluoride, 99% 5GR

4-Nitrobenzene-1-sulfonyl fluoride

Benzenesulfonylfluoride, 4-nitro-

4-NITROBENZENESULFONYL FLUORIDE

4-NITROBENZENESULFONYL FLUORIDE 99%

4-Nitrobenzenesulphonyl fluoride

349-96-2

Protection & Derivatization Reagents (for Synthesis)

Synthetic Organic Chemistry