Benzenesulfonamide,4-methyl-N-(2-methylphenyl)- supplier

Name
N-(o-tolyl)-p-toluenesulphonamide
EINECS 201-267-8
CAS No. 80-28-4
Article Data54
CAS DataBase
Density 1.237 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₅NO₂S
Boiling Point 398.1 °C at 760 mmHg
Molecular Weight 261.345
Flash Point 194.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Toluenesulfono-o-toluidide(7CI,8CI);N-(2-Methylphenyl)-p-toluenesulfonamide;NSC 48377;
PSA 54.55000
LogP 4.25800

Benzenesulfonamide,4-methyl-N-(2-methylphenyl)- Specification

The CAS registry number of Benzenesulfonamide,4-methyl-N-(2-methylphenyl)- is 80-28-4. This chemical is also named as N-(2-Methylphenyl)-p-toluenesulfonamide. Its EINECS registry number is 201-267-8. In addition, its molecular formula is C₁₄H₁₅NO₂S and molecular weight is 261.3394. Its systematic name and IUPAC name are the same which is called 4-methyl-N-(2-methylphenyl)benzenesulfonamide.

Physical properties about this chemical are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 269.12; (6)ACD/BCF (pH 7.4): 261.2; (7)ACD/KOC (pH 5.5): 1909.48; (8)ACD/KOC (pH 7.4): 1853.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 73.17 cm³; (14)Molar Volume: 211.1 cm³; (15)Surface Tension: 50.2 dyne/cm; (16)Density: 1.237 g/cm³; (17)Flash Point: 194.5 °C; (18)Enthalpy of Vaporization: 64.86 kJ/mol; (19)Boiling Point: 398.1 °C at 760 mmHg.

Uses of Benzenesulfonamide,4-methyl-N-(2-methylphenyl)-: it can be used to produce toluene-4-sulfonic acid-(2-methyl-4-nitro-anilide). It will need reagents NaNO₂,conc.H₂SO₄ and solvent acetic acid with reaction time of 1 hour. The yield is about 48 %.

Benzenesulfonamide,4-methyl-N-(2-methylphenyl)- can be used to produce toluene-4-sulfonic acid-(2-methyl-4-nitro-anilide)

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccccc1C)c2ccc(cc2)C
(2)InChI: InChI=1/C14H15NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
(3)InChIKey: SIPGNSRRMHEOSA-UHFFFAOYAW

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 41, 1953.

Product Name

N-(o-tolyl)-p-toluenesulphonamide

Benzenesulfonamide,4-methyl-N-(2-methylphenyl)- Specification

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