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Substance Name: Xylenol Blue
RN: 125-31-5
UNII: BRA8Z80WK7
InChIKey: MGUKYHHAGPFJMC-UHFFFAOYSA-N

Molecular Formula

  • C23-H22-O5-S

Molecular Weight

  • 410.488
 
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Names and Synonyms

Name of Substance

  • Xylenol Blue

Synonyms

  • 1,4-Dimethyl-5-hydroxybenzenesulfonphthalein
  • EINECS 204-736-5
  • NSC 10471
  • p-Xylenesulfonephthalein
  • p-Xylenol Blue
  • p-Xylenolsulfonephthalein
  • p-Xylenolsulfonphthalein
  • p-Xylenolsulfophthalein
  • UNII-BRA8Z80WK7
  • Xylenol Blue

Systematic Names

  • 2,5-Xylenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide (8CI)
  • 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2,5-dimethylphenol) S,S-dioxide
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,5-dimethyl-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,5-dimethyl-, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 125-31-5

FDA UNII

  • BRA8Z80WK7

System Generated Number

  • 0000125315

Structure Descriptors

InChI

1S/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23/h5-12,24-25H,1-4H3

InChIKey

MGUKYHHAGPFJMC-UHFFFAOYSA-N

Smiles

O=S1(=O)OC(c2ccccc12)(c1c(cc(O)c(C)c1)C)c1c(cc(O)c(C)c1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.400 (none)   EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.