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Substance Name: 3',3'',5',5''-Tetrabromophenolphthalein
RN: 76-62-0
UNII: YZ4HT20I0V
InChIKey: OBRGVMYQZVQHGO-UHFFFAOYSA-N

Molecular Formula

  • C20-H10-Br4-O4

Molecular Weight

  • 633.911
 
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Names and Synonyms

Name of Substance

  • 3',3'',5',5''-Tetrabromophenolphthalein

Synonyms

  • 3',3'',5',5''-Tetrabromophenolphthalein
  • 3,3-Bis(3,5-dibromo-4-hydroxyphenyl)-1(3H)-isobenzofuranone
  • EINECS 200-974-9
  • NSC 21261
  • Tetrabromophenolphthalein
  • Tetrabromophenolphthalein (VAN)
  • UNII-YZ4HT20I0V

Systematic Names

  • 1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-
  • 3,3-Bis(3,5-dibromo-4-hydroxyphenyl)phthalide
  • Phenolphthalein, 3',3'',5',5''-tetrabromo- (8CI)

Registry Numbers

CAS Registry Number

  • 76-62-0

FDA UNII

  • YZ4HT20I0V

System Generated Number

  • 0000076620

Structure Descriptors

InChI

1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H

InChIKey

OBRGVMYQZVQHGO-UHFFFAOYSA-N

Smiles

c1(c(Br)cc(C2(OC(c3c2cccc3)=O)c2cc(c(O)c(c2)Br)Br)cc1Br)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 296 deg C   EXP
log P (octanol-water) 6.620 (none)   EST
Atmospheric OH Rate Constant 6.54E-12 cm3/molecule-sec 25 EST

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