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Substance Name: Phenolsulfonphthalein [JAN:NF]
RN: 143-74-8
UNII: I6G9Y0J1OJ
InChIKey: BELBBZDIHDAJOR-UHFFFAOYSA-N

Note

  • Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.

Molecular Formula

  • C19-H14-O5-S

Molecular Weight

  • 354.3806
 

Classification Codes

  • Coloring Agents
  • Indicators and Reagents
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Phenolsulfonphthalein
  • Phenolsulfonphthalein [JAN:NF]

MeSH Heading

  • Phenolsulfonphthalein

Synonyms

  • 3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide
  • 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)diphenol S,S-dioxide
  • 5-19-03-00457 (Beilstein Handbook Reference)
  • BRN 0326470
  • EINECS 205-609-7
  • Fenolipuna
  • NSC 10459
  • Phenol Red
  • Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide
  • Phenolsulfonphthalein
  • Phenolsulphonphthalein
  • PSP
  • PSP (indicator)
  • Sulfonphthal
  • Sulphental
  • Sulphonthal
  • UNII-I6G9Y0J1OJ

Systematic Names

  • Phenol Red
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, (S,S-dioxide)
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide

Superlist Name

  • Phenol Red

Registry Numbers

CAS Registry Number

  • 143-74-8

FDA UNII

  • I6G9Y0J1OJ

Other Registry Number

  • 2877-88-5

System Generated Number

  • 0000143748

Structure Descriptors

InChI

1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H

InChIKey

BELBBZDIHDAJOR-UHFFFAOYSA-N

Smiles

Oc1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)cc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1368mg/kg (1368mg/kg)   Drugs in Japan Vol. -, Pg. 930, 1990.
rat LD50 intravenous 752mg/kg (752mg/kg)   Drugs in Japan Vol. -, Pg. 930, 1990.
rat LD50 subcutaneous > 600mg/kg (600mg/kg)   Clinical Toxicology. Vol. 4(2), Pg. 185, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point >300 deg C   EXP
pKa Dissociation Constant 8.08 (none) 20 EXP
log P (octanol-water) 3.02 (none)   EXP
Water Solubility 770 mg/L 100 EXP
Vapor Pressure 6.22E-13 mm Hg 25 EST
Henry's Law Constant 2.08E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.12E-11 cm3/molecule-sec 25 EST

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