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Substance Name: Disperse Red 54
RN: 6657-37-0
InChIKey: BMUXKUVOASOJKR-GHVJWSGMSA-N

Molecular Formula

  • C19-H18-Cl-N5-O4

Molecular Weight

  • 415.835
 
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Names and Synonyms

Name of Substance

  • Disperse Red 54

Synonyms

  • 3-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)(2-cyanoethyl)amino)propanoic acid, methyl ester
  • C.I. Disperse Red 54
  • Disperse Red 54
  • EINECS 229-692-4

Systematic Names

  • beta-Alanine, N-(4-((2-chloro-4-nitrophenyl)azo)phenyl)-N-(2-cyanoethyl)-, methyl ester
  • beta-Alanine, N-(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)-N-(2-cyanoethyl)-, methyl ester
  • C.I. Disperse Red 54
  • Methyl N-(4-((2-chloro-4-nitrophenyl)azo)phenyl)-N-(2-cyanoethyl)-beta-alaninate

Registry Numbers

CAS Registry Number

  • 6657-37-0

Other Registry Numbers

  • 12217-86-6
  • 39328-04-6
  • 73299-45-3

System Generated Number

  • 0006657370

Structure Descriptors

InChI

1S/C19H18ClN5O4/c1-29-19(26)9-12-24(11-2-10-21)15-5-3-14(4-6-15)22-23-18-8-7-16(25(27)28)13-17(18)20/h3-8,13H,2,9,11-12H2,1H3/b23-22+

InChIKey

BMUXKUVOASOJKR-GHVJWSGMSA-N

Smiles

N#CCCN(c1ccc(cc1)\N=N\c1ccc(cc1Cl)[N+]([O-])=O)CCC(=O)OC