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Substance Name: Sodium bromothymol blue
RN: 34722-90-2
UNII: CFN0FBC3YH
InChIKey: NMKFVGALBGZKGW-FKWCIMQXSA-M

Note

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

Molecular Formula

  • C27-H28-Br2-O5-S.Na

Molecular Weight

  • 646.369
 
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Names and Synonyms

Results Name

  • Sodium bromothymol blue

Name of Substance

  • Bromthymol Blue sodium

Synonyms

  • Bromothymol Blue, sodium salt
  • EINECS 252-169-7
  • Sodium bromothymol blue
  • UNII-CFN0FBC3YH

Systematic Names

  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-, monosodium salt
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-, sodium salt (1:1)
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide, monosodium salt
  • Sodium alpha-(3-bromo-5-isopropyl-4-oxo-2-methyl-2,5-cyclohexadienylidene)-2-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)toluenesulphonate

Registry Numbers

CAS Registry Number

  • 34722-90-2

FDA UNII

  • CFN0FBC3YH

Other Registry Numbers

  • 1007478-27-4
  • 1017687-43-2
  • 1173527-57-5
  • 1190057-84-1
  • 1202866-89-4
  • 223272-01-3
  • 271766-05-3
  • 33551-93-8

System Generated Number

  • 0034722902

Molecular Formulas

Molecular Formula

  • C27-H28-Br2-O5-S.Na

Molecular Formula Fragments

  • C27-H28-Br2-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H28Br2O5S.Na/c1-13(2)18-11-20(15(5)24(28)26(18)30)23(17-9-7-8-10-22(17)35(32,33)34)21-12-19(14(3)4)27(31)25(29)16(21)6;/h7-14,30H,1-6H3,(H,32,33,34);/q;+1/p-1/b23-21+;

InChIKey

NMKFVGALBGZKGW-FKWCIMQXSA-M

Smiles

S(=O)([O-])(=O)c1c(C(\c2c(C)c(Br)c(O)c(C(C)C)c2)=C2\C(=C(Br)C(C(=C2)C(C)C)=O)C)cccc1.[Na+]