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Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((5,6-dichloro-2-benzothiazolyl)azo)phenyl)amino)-

Base Information
  • Chemical Name:Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((5,6-dichloro-2-benzothiazolyl)azo)phenyl)amino)-
  • CAS No.:33979-43-0
  • Molecular Formula:C20H17 Cl2 N5 O2 S
  • Molecular Weight:462.35
  • Hs Code.:
  • DSSTox Substance ID:DTXSID4067804
  • Nikkaji Number:J422.305E
  • Mol file:33979-43-0.mol
Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((5,6-dichloro-2-benzothiazolyl)azo)phenyl)amino)-

Synonyms:Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((5,6-dichloro-2-benzothiazolyl)azo)phenyl)amino)-;33979-43-0;Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(5,6-dichloro-2-benzothiazolyl)azo]phenyl]amino]-;Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(5,6-dichloro-2-benzothiazolyl)diazenyl)phenyl)amino)-;Propanonitrile, 3-((2-hydroxyethyl)(4-((5,6-dichloro-1,3-benzothiazol-2-yl)azo)phenyl)amino)-, acetate ester;C20H17Cl2N5O2S;DTXSID4067804;3-[[2-(Acetyloxy)ethyl][4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl]amino]propanenitrile;Propanenitrile, 3-[[2-(acetyloxy)ethyl][4- [(5,6-dichloro-2-benzothiazolyl)azo]phenyl]amino ]-

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Chemical Property of Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((5,6-dichloro-2-benzothiazolyl)azo)phenyl)amino)-
Chemical Property:
  • Vapor Pressure:9.65E-17mmHg at 25°C 
  • Boiling Point:649.3°Cat760mmHg 
  • PKA:1.16±0.50(Predicted) 
  • Flash Point:346.5°C 
  • PSA:119.18000 
  • Density:1.41g/cm3 
  • LogP:6.30168 
  • XLogP3:5.4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:9
  • Exact Mass:461.0480014
  • Heavy Atom Count:30
  • Complexity:652
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl
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