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72738-98-8

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Basic Information
CAS No.: 72738-98-8
Name: N-[2-Nitro-4-[(acridine-9-yl)amino]phenyl]methanesulfonamide
Molecular Structure:
Molecular Structure of 72738-98-8 (N-[2-Nitro-4-[(acridine-9-yl)amino]phenyl]methanesulfonamide)
Formula: C20H16N4O4S
Molecular Weight: 408.437
Density: 1.516g/cm3
Boiling Point: 591.9°Cat760mmHg
Flash Point: 311.8°C
Safety: Mutation data reported. See also SULFONATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 128.52000
LogP: 5.51020
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  • 4′-(9-ACRIDINYLAMINO)-2′-NITROMETHANE SULFONANILIDE

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    72738-98-8

    4′-(9-ACRIDINYLAMINO)-2′-NITROMETHANE SULFONANILIDE

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  • 4′-(9-ACRIDINYLAMINO)-2′-NITROMETHANE SULFONANILIDE

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    72738-98-8

    4′-(9-ACRIDINYLAMINO)-2′-NITROMETHANE SULFONANILIDE

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Chemistry

Empirical Formula of 4'-(9-Acridinylamino)-2'-nitromethanesulfonanilide (CAS NO.72738-98-8): C20H16N4O4S
Molecular Weight: 408.4304 
Index of Refraction: 1.763
Density: 1.516 g/cm3
Flash Point: 311.8 °C
Enthalpy of Vaporization: 88.28 kJ/mol
Boiling Point: 591.9 °C at 760 mmHg
Vapour Pressure: 5.56E-14 mmHg at 25 °C 
Structure of 4'-(9-Acridinylamino)-2'-nitromethanesulfonanilide (CAS NO.72738-98-8):
                     
IUPAC Name: N-[4-(Acridin-9-ylamino)-2-nitrophenyl]methanesulfonamide
Canonical SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)[N+](=O)[O-]
InChI: InChI=1S/C20H16N4O4S/c1-29(27,28)23-18-11-10-13(12-19(18)24(25)26)21-20-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)20/h2-12,23H,1H3,(H,21,22)
InChIKey: WEZRAMQEVJLJRP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 28,800 nmol/L

     JMCMAR    Journal of Medicinal Chemistry. 23 (1980),269.

Safety Profile

Mutation data reported. See also SULFONATES. When heated to decomposition 4'-(9-Acridinylamino)-2'-nitromethanesulfonanilide (CAS NO.72738-98-8) emits very toxic fumes of NOx and SOx.

Specification

 4'-(9-Acridinylamino)-2'-nitromethanesulfonanilide , its cas register number is 72738-98-8. It also can be called BRN 0459354 ; and Methanesulfonanilide, 4'-(9-acridinylamino)-2'-nitro- .