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61417-08-1

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Basic Information
CAS No.: 61417-08-1
Name: N-[4-[(3-Chloro-9-acridinyl)amino]phenyl]methanesulfonamide
Molecular Structure:
Molecular Structure of 61417-08-1 (N-[4-[(3-Chloro-9-acridinyl)amino]phenyl]methanesulfonamide)
Formula: C20H16ClN3O2S
Molecular Weight: 397.90
Synonyms: Methanesulfonanilide,4'-(4-chloro-9-acridinylamino);N-[4-(4-chloro-acridin-9-ylamino)-phenyl]-methanesulfonamide;Methanesulfonamide,N-(4-((4-chloro-9-acridinyl)amino)phenyl);4'-(4-Chloro-9-acridinylamino)methanesulfonanilide;
Density: 1.477g/cm3
Boiling Point: 579.2°Cat760mmHg
Flash Point: 304.1°C
Safety: Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
PSA: 79.47000
LogP: 6.38330
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Chemistry

Empirical Formula of 4'-(4-Chloro-9-acridinylamino)methanesulfonanilide (CAS NO.61417-08-1): C20H16ClN3O2S
Molecular Weight: 397.8779 
Index of Refraction: 1.751
Density: 1.477 g/cm3
Flash Point: 304.1 °C
Enthalpy of Vaporization: 86.67 kJ/mol
Boiling Point: 579.2 °C at 760 mmHg
Vapour Pressure: 2.06E-13 mmHg at 25 °C
Structure of 4'-(4-Chloro-9-acridinylamino)methanesulfonanilide (CAS NO.61417-08-1):
                       
IUPAC Name: N-[4-[(4-Chloroacridin-9-yl)amino]phenyl]methanesulfonamide
Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)Cl
InChI: InChI=1S/C20H16ClN3O2S/c1-27(25,26)24-14-11-9-13(10-12-14)22-19-15-5-2-3-8-18(15)23-20-16(19)6-4-7-17(20)21/h2-12,24H,1H3,(H,22,23)
InChIKey: HHJAARLXUOVIJH-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 23 µmol/L

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

Safety Profile

Mutation data reported. When heated to decomposition 4'-(4-Chloro-9-acridinylamino)methanesulfonanilide (CAS NO.61417-08-1) emits very toxic fumes of Cl−, NOx, and SOx.

Specification

 4'-(4-Chloro-9-acridinylamino)methanesulfonanilide , its cas register number is 61417-08-1. It also can be called Methanesulfonanilide, 4'-(4-chloro-9-acridinylamino)- ; BRN 0452513 ; and Methanesulfonamide, N-(4-((4-chloro-9-acridinyl)amino)phenyl)- .