<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 01:14:33 UTC</creation_date>
  <update_date>2026-05-20 19:39:45 UTC</update_date>
  <accession/>
  <common_name>Sodium bromophenol Blue</common_name>
  <class>SmallMolecule</class>
  <description>Sodium bromophenol Blue belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C19H9Br4NaO5S. With an average molecular weight of 691.94 g/mol, Sodium bromophenol Blue is a heavy molecule.</description>
  <categories/>
  <types>
    <type>Phenolic Antioxidant</type>
  </types>
  <synonyms/>
  <chemical_formula>C19H9Br4NaO5S</chemical_formula>
  <average_molecular_weight>691.94</average_molecular_weight>
  <monisotopic_moleculate_weight>687.6801871</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>[Na+].OC1=CC(Br)=C(C(C2=CC=CC=C2S([O-])(=O)=O)=C2C(Br)=CC(=O)C=C2Br)C(Br)=C1</smiles>
  <inchi>InChI=1S/C19H10Br4O5S.Na/c20-12-5-9(24)6-13(21)18(12)17(19-14(22)7-10(25)8-15(19)23)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1</inchi>
  <inchikey>LNYRQUVFLCYJCJ-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>691.94</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>687.6801871</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Na+].OC1=CC(Br)=C(C(C2=CC=CC=C2S([O-])(=O)=O)=C2C(Br)=CC(=O)C=C2Br)C(Br)=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C19H9Br4NaO5S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C19H10Br4O5S.Na/c20-12-5-9(24)6-13(21)18(12)17(19-14(22)7-10(25)8-15(19)23)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LNYRQUVFLCYJCJ-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c761908&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>76972649</pubchem_compound_id>
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</compound>
