Disperse Blue 79:1

CAS Registry Number®

3618-72-2
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CAS Name

Disperse Blue 79:1

Molecular Formula

C23H25BrN6O10

Molecular Mass

625.38

Cite this Page

Disperse Blue 79:1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=3618-72-2 (retrieved 2024-05-08) (CAS RN: 3618-72-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    149-151 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)

InChIKey

InChIKey=JSRUDOBCTLPTFO-UHFFFAOYSA-N

SMILES

N(CCOC(C)=O)(CCOC(C)=O)C1=C(OC)C=C(N=NC2=C(N(=O)=O)C=C(N(=O)=O)C=C2Br)C(NC(C)=O)=C1

Canonical SMILES

O=C(OCCN(C1=CC(NC(=O)C)=C(N=NC2=C(Br)C=C(C=C2N(=O)=O)N(=O)=O)C=C1OC)CCOC(=O)C)C

Other Names for this Substance

  • Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-
  • p-Acetanisidide, 5′-[bis(2-hydroxyethyl)amino]-2′-[(2-bromo-4,6-dinitrophenyl)azo]-, diacetate (ester)
  • Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
  • p-Acetanisidide, 5′-[bis(2-hydroxyethyl)amino]-2′-[(2-bromo-4,6-dinitrophenyl)azo]-, diacetate
  • N-[5-[Bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide

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Deleted or Replaced CAS Registry Numbers

75497-74-4, 158707-49-4

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