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734-25-8

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Basic Information
CAS No.: 734-25-8
Name: 4'-NITRO-P-TOLUENESULFONANILIDE
Article Data: 54
Molecular Structure:
Molecular Structure of 734-25-8 (4'-NITRO-P-TOLUENESULFONANILIDE)
Formula: C13H12N2O4S
Molecular Weight: 292.315
Synonyms: p-Toluenesulfonanilide,4'-nitro- (6CI,7CI,8CI);4-Methyl-N-(4-nitrophenyl)benzenesulfonamide;N-(4-Nitrophenyl)-p-toluenesulfonamide;N-Tosyl-4-nitroaniline;N-Tosyl-p-nitroaniline;NSC 49573;
EINECS: 211-994-2
Density: 1.414 g/cm3
Melting Point: 191 °C
Boiling Point: 469.5 °C at 760 mmHg
Flash Point: 237.7 °C
Risk Codes: R52/53
PSA: 100.37000
LogP: 4.38100
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Specification

This chemical is called Benzenesulfonamide,4-methyl-N-(4-nitrophenyl)-, and its systematic name is 4-methyl-N-(4-nitrophenyl)benzenesulfonamide. With the molecular formula of C13H12N2O4S, its molecular weight is 292.31. The CAS registry number of this chemical is 734-25-8.

Other characteristics of the Benzenesulfonamide,4-methyl-N-(4-nitrophenyl)- can be summarised as followings: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 514.64; (6)ACD/BCF (pH 7.4): 313.96; (7)ACD/KOC (pH 5.5): 3030.27; (8)ACD/KOC (pH 7.4): 1848.61; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.58 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 74.58 cm3; (15)Molar Volume: 206.6 cm3; (16)Polarizability: 29.56×10-24cm3; (17)Surface Tension: 62.3 dyne/cm; (18)Density: 1.414 g/cm3; (19)Flash Point: 237.7 °C; (20)Enthalpy of Vaporization: 73.18 kJ/mol; (21)Boiling Point: 469.5 °C at 760 mmHg; (22)Vapour Pressure: 5.49E-09 mmHg at 25°C.

Production method of this chemical:

Uses of this chemical: The toluene-4-sulfonic acid-(4-amino-anilide) could be obtained by the reactant of Benzenesulfonamide,4-methyl-N-(4-nitrophenyl)-. This reaction needs the reagents of iron, acetic acid.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(Nc1ccc(cc1)[N+]([O-])=O)c2ccc(cc2)C
2.InChI: InChI=1/C13H12N2O4S/c1-10-2-8-13(9-3-10)20(18,19)14-11-4-6-12(7-5-11)15(16)17/h2-9,14H,1H3
3.InChIKey: ACOIHAFYVPPSOZ-UHFFFAOYAD