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Substance Name: Bromophenol blue
RN: 115-39-9
UNII: 0R2969YC90
InChIKey: UDSAIICHUKSCKT-UHFFFAOYSA-N

Note

  • A dye that has been used as an industrial dye, a laboratory indicator, and a biological stain.

Molecular Formula

  • C19-H10-Br4-O5-S

Molecular Weight

  • 669.965
 

Classification Codes

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

Name of Substance

  • Bromophenol blue
  • Bromphenol blue

MeSH Heading

  • Bromphenol blue

Synonyms

  • 3',3'',5',5''-Tetrabromophenolsulfonephthalein
  • 3',3'',5',5''-Tetrabromophenolsulfophthalein
  • 3,3',5,5'-Tetrabromophenolsulfonphthalein
  • 5-19-03-00458 (Beilstein Handbook Reference)
  • AI3-52697
  • Albutest
  • BRN 0061698
  • Bromophenol blue
  • Bromphenol blue
  • CCRIS 5487
  • EINECS 204-086-2
  • HSDB 7728
  • NSC 7818
  • Tetrabromophenolsulfophthalein
  • Tetrabromphenol Blue
  • UNII-0R2969YC90

Systematic Names

  • Bromophenol blue
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-, S,S-dioxide
  • Tetrabromophenol blue

Superlist Name

  • Bromophenol blue

Registry Numbers

CAS Registry Number

  • 115-39-9

FDA UNII

  • 0R2969YC90

Other Registry Numbers

  • 1007629-43-7
  • 1011401-24-3
  • 1016316-66-7
  • 1018123-58-4
  • 1083043-33-7
  • 134863-99-3
  • 58296-21-2
  • 61226-61-7
  • 632-72-4
  • 711007-29-3
  • 784127-37-3
  • 932977-58-7
  • 952016-90-9

System Generated Number

  • 0000115399

Structure Descriptors

InChI

1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H

InChIKey

UDSAIICHUKSCKT-UHFFFAOYSA-N

Smiles

C1(c2c(S(=O)(=O)O1)cccc2)(c1cc(c(c(c1)Br)O)Br)c1cc(c(c(c1)Br)O)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 279 dec deg C   EXP
log P (octanol-water) 6.770 (none)   EST
Atmospheric OH Rate Constant 3.54E-12 cm3/molecule-sec 25 EST

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