CAS No.100-93-6,4'-anilinotoluene-4-sulphonanilide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100-93-6
Name:	4'-anilinotoluene-4-sulphonanilide
Article Data:	4

Formula:	C₁₉H₁₈ N₂O₂S
Molecular Weight:	338.43
Synonyms:	p-Toluenesulfonanilide,4'-anilino- (6CI,7CI,8CI);4-(p-Toluenesulfonamido)diphenylamine;4-Methyl-N-[4-(phenylamino)phenyl]benzenesulfonamide;4'-Anilino-p-toluenesulfonanilide;4'-Anilinotoluene-4-sulfonanilide;Aranox;N-Phenyl-N'-p-toluenesulfonyl-p-phenylenediamine;N-p-(Phenylaminophenyl)-p-toluenesulfonic acid amide;NSC 41053;Naugard SA;Nocrac TD;p-(p-Tolylsulfonylamido)diphenylamine;
EINECS:	202-902-1
Density:	1.297g/cm³
Melting Point:	147 °C
Boiling Point:	521°Cat760mmHg
Flash Point:	268.9°C
PSA:	66.58000
LogP:	5.76620

Synthetic route

: 98-59-9
p-toluenesulfonyl chloride

: 101-54-2
N-phenylphenylene-1,4-diamine

: 100-93-6
N-phenyl-4-(p-toluenesulfonamido)aniline

Conditions

Conditions	Yield
With ethanol; sodium acetate

: 100-93-6
N-phenyl-4-(p-toluenesulfonamido)aniline

: 83482-85-3
N-(4-phenylimino-cyclohexa-2,4-dienylidene)-toluene-4-sulfonamide

Conditions

Conditions	Yield
With lead(IV) acetate

: 100-93-6
N-phenyl-4-(p-toluenesulfonamido)aniline

: 77-78-1
dimethyl sulfate

: toluene-4-sulfonic acid-(4-anilino-N-methyl-anilide)

Conditions

Conditions	Yield
With potassium hydroxide

: 21528-31-4
2-(4-(dimethylamino)benzoyl)benzoic acid

: 100-93-6
N-phenyl-4-(p-toluenesulfonamido)aniline

: 3-[4-(dimethylamino)phenyl]-3-{[4-(p-toluenesulfonamido)phenyl]phenylamino}-phthalide

Conditions

Conditions	Yield
With urea

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Specification

The Aranox with the cas number 100-93-6, is also called N-(4-anilinophenyl)-4-methylbenzenesulfonamide named by IUPAC. There are also other names such as (1)4'-Anilinotoluene-4-sulphonanilide ; (2)Benzenesulfonamide, 4-methyl-N-(4-(phenylamino)phenyl)- ; (3)p-Toluenesulfonanilide, 4'-anilino- (8CI).

Physical properties about this chemical are:(1)ACD/LogP: 3.39 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.39 ; (4)ACD/LogD (pH 7.4): 3.39 ; (5)ACD/BCF (pH 5.5): 222.41 ; (6)ACD/BCF (pH 7.4): 219.77 ; (7)ACD/KOC (pH 5.5): 1666.03 ; (8)ACD/KOC (pH 7.4): 1646.25 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 49Å² ; (13)Index of Refraction: 1.665 ; (14)Molar Refractivity: 96.91 cm³ ; (15)Molar Volume: 260.8 cm³ ; (16)Polarizability: 38.41 ×10^-24cm³ ; (17)Surface Tension: 59.3 dyne/cm ; (18)Density: 1.297 g/cm³ ; (19)Flash Point: 268.9 °C ; (20)Enthalpy of Vaporization: 79.42 kJ/mol ; (21)Boiling Point: 521 °C at 760 mmHg ; (22)Vapour Pressure: 5.89E-11 mmHg at 25°C

You can still convert the following datas into molecular structure :
(1) SMILES: O=S(=O)(c1ccc(cc1)C)Nc3ccc(Nc2ccccc2)cc3
(2) InChI:InChI=1/C19H18N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-18-11-9-17(10-12-18)20-16-5-3-2-4-6-16/h2-14,20-21H,1H3