p-Toluenesulfonamide - Materials / Alfa Chemistry

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p-Toluenesulfonamide

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Catalog Number

ACMA00017401

Product Name

p-Toluenesulfonamide

Category

Polymers

Description

DryPowder;WHITE CRYSTALS.

IUPAC Name

4-methylbenzenesulfonamide

Molecular Weight

171.22g/mol

Molecular Formula

C7H9NO2S;C7H9NO2S

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

InChI Key

LMYRWZFENFIFIT-UHFFFAOYSA-N

Melting Point

138.5 °C;138 °C;138 °C

Flash Point

202 °C (396 °F) Closed cup;202 °C c.c.

Solubility

0.02 M;In water, 3.16X10+3 mg/L at 25 °C;Slightly soluble in water;Soluble in alcohol;Slightly soluble in ether; soluble in ethanol;Solubility in water, g/100ml at 25 °C: 0.316

Application

p-Toluenesulfonamide serves multiple purposes across various industries due to its versatile properties. This compound, presented as white leaflets, is primarily soluble in alcohol and very slightly soluble in water. With its combustible nature, it is utilized in the manufacture of a wide range of products including plasticizers, disinfectants, fungicides, and wood brighteners. Additionally, it finds application in the production of synthetic resins, coatings, fluorescent dyes, and pharmaceuticals. Structurally, it is a sulfonamide characterized by a benzenesulfonamide with a methyl group at the 4th position.

Color/Form

Monoclinic plates (w+2);White leaflets

Complexity

209

Covalently-Bonded Unit Count

EC Number

200-741-1

Exact Mass

171.0354g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1557

Log P

0.82 (LogP);log Kow = 0.82;0.82

MeSH Entry Terms

4-methylbenzenesulfonamide;4-toluenesulfonamide;4-toluenesulfonamide hydrochloride;4-toluenesulfonamide, 6-(14)C-labeled;4-toluenesulfonamide, mercury (+2) salt (1:1);4-toluenesulfonamide, mercury (+2) salt (2:1);4-toluenesulfonamide, monopotassium salt;4-toluenesulfonamide, monosilver salt;4-toluenesulfonamide, monosodium salt;4-toluenesulfonylamide;para-toluenesulfonamide;para-toluenesulphonamide

Monoisotopic Mass

171.0354g/mol

NSC Number

9908

Other Experimental

BP: 214 °C at 10 mm Hg;MP: 105 °C (Hydrated);Monoclinic plates /Dihydrate/;Henry's Law constant = 4.70X10-7 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.2X10-12 cu cm/molecule-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

XT5075000

Stability

Stable under recommended storage conditions.

UNII

I8266RI90M

Vapor Pressure

9.6X10-5 mm Hg at 25 °C (est);Vapor pressure at 25 °C: negligible

XLogP3

0.8

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