Bromocresol green

CAS Registry Number®

76-60-8
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CAS Name

Bromocresol green

Molecular Formula

C21H14Br4O5S

Molecular Mass

698.01

Cite this Page

Bromocresol green.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=76-60-8 (retrieved 2024-04-23) (CAS RN: 76-60-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3

InChIKey

InChIKey=FRPHFZCDPYBUAU-UHFFFAOYSA-N

SMILES

CC1=C(C2(C=3C(S(=O)(=O)O2)=CC=CC3)C4=C(C)C(Br)=C(O)C(Br)=C4)C=C(Br)C(O)=C1Br

Canonical SMILES

O=S1(=O)OC(C=2C=CC=CC21)(C3=CC(Br)=C(O)C(Br)=C3C)C4=CC(Br)=C(O)C(Br)=C4C

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

641-19-0

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