Bromocresol purple

CAS Registry Number®

115-40-2
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CAS Name

Bromocresol purple

Molecular Formula

C21H16Br2O5S

Molecular Mass

540.22

Cite this Page

Bromocresol purple.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115-40-2 (retrieved 2024-04-20) (CAS RN: 115-40-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    241.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3

InChIKey

InChIKey=ABIUHPWEYMSGSR-UHFFFAOYSA-N

SMILES

O=S1(=O)OC(C=2C1=CC=CC2)(C3=CC(Br)=C(O)C(C)=C3)C4=CC(Br)=C(O)C(C)=C4

Canonical SMILES

O=S1(=O)OC(C2=CC(Br)=C(O)C(=C2)C)(C3=CC(Br)=C(O)C(=C3)C)C=4C=CC=CC41

Other Names for this Substance

  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-
  • o-Cresol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[6-bromo-, S,S-dioxide
  • Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-, S,S-dioxide
  • Bromocresol purple
  • o-Toluenesulfonic acid, α,α-bis(5-bromo-4-hydroxy-m-tolyl)-α-hydroxy-, γ-sultone

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Deleted or Replaced CAS Registry Numbers

99792-85-5, 518-50-3, 644950-41-4

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