Trypan blue

CAS Registry Number®

72-57-1

CAS Name

Trypan blue

Molecular Formula

C34H28N6O14S4.4Na

Cite this Page

Trypan blue.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72-57-1 (retrieved 2024-11-23) (CAS RN: 72-57-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;

InChIKey

InChIKey=UBHCTCVOHFAILV-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=C(C)C=C(C=C3)C4=CC(C)=C(N=NC=5C(S(=O)(=O)O)=CC6=C(C5O)C(N)=CC(S(=O)(=O)O)=C6)C=C4)C=C(S(=O)(=O)O)C=C2N.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC(N)=C2C(O)=C(N=NC=3C=CC(=CC3C)C4=CC=C(N=NC5=C(O)C6=C(N)C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)C(=C4)C)C(=CC2=C1)S(=O)(=O)O

Other Names for this Substance

  • 2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[5-amino-4-hydroxy-, sodium salt (1:4)
  • C.I. Direct Blue 14, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt
  • Diphenyl Blue
  • Blue 3B

View All

Deleted or Replaced CAS Registry Numbers

179472-55-0

CAS INSIGHTSTM
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