Structure

Reactive Blue 4

CAS
13324-20-4
Catalog Number
ACM13324204
Category
Reactive Dyes
Molecular Weight
637.43
Molecular Formula
C23H14Cl2N6O8S2

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Specification

Synonyms
C.I. 61205;C.I. Reactive Blue 4;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-
Active Content
95%
Physical State
Solid
What is the molecular formula of Reactive Blue 4?

The molecular formula of Reactive Blue 4 is C23H14Cl2N6O8S2.

When was Reactive Blue 4 created and last modified?

Reactive Blue 4 was created on 2005-03-26 and last modified on 2023-12-23.

What is the molecular weight of Reactive Blue 4?

The molecular weight of Reactive Blue 4 is 637.4 g/mol.

How is the IUPAC Name of Reactive Blue 4 computed?

The IUPAC Name of Reactive Blue 4 is computed by Lexichem TK 2.7.0.

What is the InChI of Reactive Blue 4?

The InChI of Reactive Blue 4 is 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).

What is the InChIKey of Reactive Blue 4?

The InChIKey of Reactive Blue 4 is RTLULCVBFCRQKI-UHFFFAOYSA-N.

How is the Canonical SMILES of Reactive Blue 4 computed?

The Canonical SMILES of Reactive Blue 4 is computed by OEChem 2.3.0.

What is the CAS number of Reactive Blue 4?

The CAS number of Reactive Blue 4 is 13324-20-4.

How many hydrogen bond donor count does Reactive Blue 4 have?

Reactive Blue 4 has 5 hydrogen bond donor count.

What is the topological polar surface area of Reactive Blue 4?

The topological polar surface area of Reactive Blue 4 is 248 Ų.

Downstream Synthesis Route 1

  • 13324-20-4
  • 1119-48-8
  • 3156-73-8
  • 84-74-2
  • 300-85-6
  • 619-55-6

Reference: [1]RSC Advances,2015,vol. 5,p. 10799 - 10808

Downstream Synthesis Route 2

  • 13324-20-4
  • 872-50-4
  • 1119-48-8
  • 84-74-2

Reference: [1]RSC Advances,2015,vol. 5,p. 10799 - 10808

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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