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59748-51-5

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Basic Information
CAS No.: 59748-51-5
Name: N-[4-(3-Nitro-9-acridinylamino)phenyl]methanesulfonamide
Molecular Structure:
Molecular Structure of 59748-51-5 (N-[4-(3-Nitro-9-acridinylamino)phenyl]methanesulfonamide)
Formula: C20H16N4O4S
Molecular Weight: 408.46
Density: 1.516g/cm3
Boiling Point: 619.5°C at 760 mmHg
Flash Point: 328.5°C
Safety: Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 128.52000
LogP: 5.51020
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Chemistry

Empirical Formula of 4'-(3-Nitro-9-acridinylamino)methanesulfonanilide (CAS NO.59748-51-5): C20H16N4O4S
Molecular Weight: 408.4304 
Index of Refraction: 1.763
Density: 1.516 g/cm3
Flash Point: 328.5 °C
Enthalpy of Vaporization: 91.83 kJ/mol
Boiling Point: 619.5 °C at 760 mmHg
Vapour Pressure: 2.84E-15 mmHg at 25 °C
Structure of 4'-(3-Nitro-9-acridinylamino)methanesulfonanilide (CAS NO.59748-51-5):
                     
IUPAC Name: N-[4-[(3-Nitroacridin-9-yl)amino]phenyl]methanesulfonamide
Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-]
InChI: InChI=1S/C20H16N4O4S/c1-29(27,28)23-14-8-6-13(7-9-14)21-20-16-4-2-3-5-18(16)22-19-12-15(24(25)26)10-11-17(19)20/h2-12,23H,1H3,(H,21,22)
InChIKey: AKDHPSNXWWAJMI-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 4074 µmol/L

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

Safety Profile

Mutation data reported. When heated to decomposition 4'-(3-Nitro-9-acridinylamino)methanesulfonanilide (CAS NO.59748-51-5) emits very toxic fumes of NOx and SOx.

Specification

 4'-(3-Nitro-9-acridinylamino)methanesulfonanilide , its cas register number is 59748-51-5. It also can be called BRN 0502229 ; Methanesulfonanilide, 4'-(3-nitro-9-acridinylamino)- ; and Methanesulfonamide, N-(4-((3-nitro-9-acridinyl)amino)phenyl)- .