CAS 616-83-1

4-Methyl-3-nitrobenzenesulfonyl chloride

Description:

4-Methyl-3-nitrobenzenesulfonyl chloride, with the CAS number 616-83-1, is an organic compound characterized by the presence of a sulfonyl chloride functional group attached to a benzene ring that also features a methyl and a nitro substituent. This compound typically appears as a yellow to brown solid and is known for its reactivity, particularly due to the sulfonyl chloride group, which can participate in nucleophilic substitution reactions. It is often used as a reagent in organic synthesis, particularly in the preparation of sulfonamides and other sulfonyl derivatives. The presence of the nitro group contributes to the compound's electrophilic nature, making it useful in various chemical transformations. Additionally, 4-Methyl-3-nitrobenzenesulfonyl chloride is sensitive to moisture and should be handled with care, as it can release hydrochloric acid upon hydrolysis. Proper safety precautions, including the use of personal protective equipment, are essential when working with this compound due to its potential hazards.

Formula: C₇H₆ClNO₄S

InChI: InChI=1S/C7H6ClNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3

InChI key: InChIKey=OQFYBGANSUNUAO-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(S(Cl)(=O)=O)=CC=C1C

Synonyms:

• 2-Nitrotoluene-4-sulfonyl chloride
• 4-Methyl-3-nitro-benzenesulfonyl chloride
• 4-Methyl-3-nitrobenzene-1-sulfonyl chloride
• 4-Methyl-3-nitrobenzene-1-sulfonylchloride
• 4-Methyl-3-nitrobenzolsulfonylchlorid
• Benzenesulfonyl chloride, 4-methyl-3-nitro-
• p-Toluenesulfonyl chloride, 3-nitro-
• 4-Methyl-3-nitrobenzenesulfonyl chloride

4-Methyl-3-nitrobenzenesulfonyl Chloride

CAS: 616-83-1

Formula: C₇H₆ClNO₄S

Purity: >98.0%(GC)(T)

Color and Shape: White to Light yellow to Green powder to crystal

Molecular weight: 235.64

Ref: 3B-N0704

4-Methyl-3-nitrobenzenesulfonyl chloride, 95%

CAS: 616-83-1

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₆ClNO₄S

Purity: 95%

Color and Shape: Crystals or powder or crystalline powder or fused solid, Cream to pale yellow

Molecular weight: 235.64

Ref: 02-A19931

4-Methyl-3-nitrobenzene-1-sulfonyl chloride

CAS: 616-83-1

Formula: C₇H₆ClNO₄S

Purity: 98%

Color and Shape: Solid

Molecular weight: 235.6448

Ref: IN-DA003LQO

4-Methyl-3-nitrobenzene-1-sulphonyl chloride

CAS: 616-83-1

4-Methyl-3-nitrobenzene-1-sulphonyl chloride

Purity: 99%

Molecular weight: 235.64484g/mol

Ref: 54-OR25655

4-Methyl-3-nitrobenzenesulfonyl chloride

CAS: 616-83-1

4-Methyl-3-nitrobenzenesulfonyl chloride (4MNBS) is a fungicide that inhibits the growth of fungi, such as Plasmodiophora brassicae, by inhibiting the enzyme dehydrogenase. 4MNBS has also been shown to inhibit mammalian pyridine nucleotide dehydrogenase and to have low toxicity in mammals. 4MNBS has been found to be an inhibitor of human cytochrome P450 isoforms CYP1A2, CYP2B6, and CYP3A4 with IC50 values ranging from 10 μM to 100 μM. 4MNBS was also shown to be a potent inhibitor of chloroplast dehydrogenases from cruciferous plants with IC50 values between 0.1 μM and 100 nM. This compound has low phytotoxicity and does not accumulate in the leaves of cruciferous plants at a concentration of 500 ppm or higher.

Formula: C₇H₆ClNO₄S

Purity: Min. 95%

Molecular weight: 235.65 g/mol

Ref: 3D-FM134326

4-Methyl-3-nitrobenzenesulphonyl chloride

CAS: 616-83-1

Formula: C₇H₆ClNO₄S

Purity: 98%

Color and Shape: Liquid

Molecular weight: 235.64

Ref: 10-F013170