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

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

MSDS