Reactive Blue 4

CAS Registry Number®

13324-20-4

CAS Name

Reactive Blue 4

Molecular Formula

C23H14Cl2N6O8S2

Molecular Mass

637.43

Cite this Page

Reactive Blue 4.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13324-20-4 (retrieved 2024-11-24) (CAS RN: 13324-20-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)

InChIKey

InChIKey=RTLULCVBFCRQKI-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=CC(NC=5N=C(Cl)N=C(Cl)N5)=C(S(=O)(=O)O)C=C4

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C(=C4)NC=5N=C(Cl)N=C(Cl)N5)S(=O)(=O)O)=C13)S(=O)(=O)O

Other Names for this Substance

  • 2-Anthracenesulfonic acid, 1-amino-4-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-
  • 2-Anthracenesulfonic acid, 1-amino-4-[3-[(4,6-dichloro-s-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dihydro-9,10-dioxo-
  • 2-Anthraquinonesulfonic acid, 1-amino-4-[3-[(4,6-dichloro-s-triazin-2-yl)amino]-4-sulfoanilino]-
  • 1-Amino-4-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
  • C.I. Reactive Blue 4

View All

Deleted or Replaced CAS Registry Numbers

11140-86-6, 12225-35-3, 95145-54-3, 95328-59-9, 168042-09-9, 223585-66-8, 1345811-16-6, 2451878-92-3

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