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Substance Name: Propanenitrile, 3-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)-
RN: 40880-51-1
InChIKey: NPBDWXMKLFBNIW-QZQOTICOSA-N

Molecular Formula

  • C17-H16-Cl-N5-O2

Molecular Weight

  • 357.799
 
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Names and Synonyms

Synonyms

  • 3-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile
  • 4-(2-Chloro-4-nitrophenylazo)-N-(beta-cyanoethyl)-N-ethylaniline
  • BRN 1845534
  • C.I. Disperse Red 50
  • Disperse Polyester Scarlet
  • Disperse Red Polyester
  • EINECS 255-127-6
  • Propanenitrile, 3-(ethyl(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)

Systematic Names

  • 3-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile
  • Propanenitrile, 3-((4-((2-chloro-4-nitrophenyl)azo)phenyl)ethylamino)-
  • Propanenitrile, 3-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)-
  • Propionitrile, 3-(p-((2-chloro-4-nitrophenyl)azo)-N-ethylanilino)- (7CI)

Registry Numbers

CAS Registry Number

  • 40880-51-1

Other Registry Numbers

  • 12223-35-7
  • 12223-40-4
  • 12223-52-8
  • 58129-00-3
  • 683814-32-6

System Generated Number

  • 0040880511

Structure Descriptors

InChI

1S/C17H16ClN5O2/c1-2-22(11-3-10-19)14-6-4-13(5-7-14)20-21-17-9-8-15(23(24)25)12-16(17)18/h4-9,12H,2-3,11H2,1H3/b21-20+

InChIKey

NPBDWXMKLFBNIW-QZQOTICOSA-N

Smiles

C(CCN(CC)c1ccc(cc1)\N=N\c1c(cc(cc1)[N+](=O)[O-])Cl)#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 10gm/kg (10000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(3), Pg. 52, 1983.
rat LD oral > 10gm/kg (10000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 50, 1988.
rat LD50 intraperitoneal 1560mg/kg (1560mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 50, 1988.