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Basic Information
CAS No.: 19757-13-2
Name: 4-nitro-N-[(4-nitrophenyl)sulfamoyl]aniline
Molecular Structure:
Molecular Structure of 19757-13-2 (4-nitro-N-[(4-nitrophenyl)sulfamoyl]aniline)
Formula: C12H10N4O6S
Molecular Weight: 338.301
Synonyms: 4,4'-Dinitrosulfanilide;Sulfamide,N,N'-bis(p-nitrophenyl)- (8CI);Sulfanilide, 4,4'-dinitro- (6CI);
Density: 1.683 g/cm3
Boiling Point: 555.6 °C at 760 mmHg
Flash Point: 289.8 °C
PSA: 158.22000
LogP: 4.54500
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Specification

The Sulfamide,N,N'-bis(4-nitrophenyl)-, with the CAS registry number 19757-13-2, is also known as 4-Nitro-N-[(4-nitrophenyl)sulfamoyl]aniline. This chemical's molecular formula is C12H10N4O6S and molecular weight is 338.296. What's more, its systematic name is called N,N'-Bis(4-nitrophenyl)sulfuric diamide.

Physical properties about Sulfamide,N,N'-bis(4-nitrophenyl)- are: (1)ACD/LogP: 3.29; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 2.93; (4) ACD/LogD (pH 7.4): 1.57; (5) ACD/BCF (pH 5.5): 80.65; (6) ACD/BCF (pH 7.4): 3.58; (7) ACD/KOC (pH 5.5): 635.37; (8) ACD/KOC (pH 7.4): 28.18; (9) #H bond acceptors: 10; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 140.64 Å2; (13) Index of Refraction: 1.723; (14) Molar Refractivity: 79.65 cm3; (15) Molar Volume: 200.9 cm3; (16) Surface Tension: 87.5 dyne/cm; (17) Density: 1.683 g/cm3; (18) Flash Point: 289.8 °C; (19) Enthalpy of Vaporization: 83.7 kJ/mol; (20) Boiling Point: 555.6 °C at 760 mmHg; (21) Vapour Pressure: 2.2E-12 mmHg at 25 °C.

Uses of Sulfamide,N,N'-bis(4-nitrophenyl)-: it is used to produce other chemicals. For example, it is used to produce C14H12N4O7S. The reaction occurs with reagent H2SO4 at ambient temperature. The yield is 94 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(Nc1ccc(cc1)[N+]([O-])=O)Nc2ccc([N+]([O-])=O)cc2
(2) InChI: InChI=1/C12H10N4O6S/c17-15(18)11-5-1-9(2-6-11)13-23(21,22)14-10-3-7-12(8-4-10)16(19)20/h1-8,13-14H
(3) InChIKey: AHQKAJFDGDOBMG-UHFFFAOYAD