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Substance Name: Bromothymol blue
RN: 76-59-5
UNII: VGU4LM0H96
InChIKey: NUHCTOLBWMJMLX-UHFFFAOYSA-N

Note

  • A pH sensitive dye that has been used as an indicator in many laboratory reactions.

Molecular Formula

  • C27-H28-Br2-O5-S

Molecular Weight

  • 624.3872
 

Classification Codes

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

Results Name

  • Bromothymol blue

Name of Substance

  • 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-met- hylethyl)phenol) S,S-dioxide
  • Bromothymol blue
  • Bromthymol blue
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-met- hylethyl)-, S,S-dioxide

MeSH Heading

  • Bromthymol blue

Synonyms

  • 3,3'-Dibromothymolsulfonphthalein
  • 5-19-03-00461 (Beilstein Handbook Reference)
  • BRN 0373934
  • Bromothymol blue
  • Bromthymol blue
  • Dibromothymolsulfophthalein
  • EINECS 200-971-2
  • NSC 7819
  • UNII-VGU4LM0H96

Systematic Names

  • Bromothymol blue
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide
  • Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-, S,S-dioxide (8CI)

Superlist Name

  • Bromothymol blue

Registry Numbers

CAS Registry Number

  • 76-59-5

FDA UNII

  • VGU4LM0H96

Other Registry Numbers

  • 1007629-44-8
  • 1017792-00-5
  • 1020714-56-0
  • 1190126-34-1
  • 1202965-59-0
  • 187674-42-6
  • 27459-90-1
  • 392711-47-6
  • 519-49-3
  • 734522-99-7

System Generated Number

  • 0000076595

Structure Descriptors

InChI

1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3

InChIKey

NUHCTOLBWMJMLX-UHFFFAOYSA-N

Smiles

C1(c2c(S(=O)(=O)O1)cccc2)(c1c(c(c(c(c1)C(C)C)O)Br)C)c1c(c(c(c(c1)C(C)C)O)Br)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 201 deg C   EXP
log P (octanol-water) 8.990 (none)   EST
Atmospheric OH Rate Constant 1.68E-11 cm3/molecule-sec 25 EST

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