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98-74-8

98-74-8 structural image
Product Name: 4-Nitrobenzenesulfonyl chloride
Formula: C6H4ClNO4S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Light yellow crystalline powder; [Alfa Aesar MSDS]
Chemical Classes Nitrogen Compounds -> Other Aromatics (Nitrogen)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H317:Sensitisation, Skin
H318:Serious eye damage/eye irritation
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 221.62 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 220.9549565 g/mol
Monoisotopic Mass 220.9549565 g/mol
Topological Polar Surface Area 88.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 283
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

Description

4-Nitrobenzenesulfonyl chloride was used in the synthesis of [Cu(bipy)2Cl](nbs)(bipy = 2,2′-bipyridine, nbs = 4-nitrobenzenesulfonate) hydroxylamines of sulfadiazine and sulfamethoxazole solution phase peptide using N-nosyl-α-amino acids.

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