<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 04:02:17 UTC</creation_date>
  <update_date>2026-08-18 00:02:05 UTC</update_date>
  <accession/>
  <common_name>1-Bromo-4-(1-methylpropyl)benzene</common_name>
  <class>SmallMolecule</class>
  <description>1-Bromo-4-(1-methylpropyl)benzene (C10H13Br) is an organic compound with an average molecular weight of 213.12 g/mol. 1-Bromo-4-(1-methylpropyl)benzene belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid. This compound has been identified in or released from two recorded sources, specifically antennas and relays used in electrical and electronic equipment.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C10H13Br</chemical_formula>
  <average_molecular_weight>213.118</average_molecular_weight>
  <monisotopic_moleculate_weight>212.0200625</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>39220-69-4</cas_registry_number>
  <smiles>CCC(C)C1=CC=C(Br)C=C1</smiles>
  <inchi>InChI=1/C10H13Br/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3H2,1-2H3</inchi>
  <inchikey>DGZQEAKNZXNTNL-UHFFFAOYSA-N</inchikey>
  <taxonomy>
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    <sub_class/>
    <direct_parent/>
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    <molecular_framework/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>213.118</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>212.0200625</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC(C)C1=CC=C(Br)C=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H13Br</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C10H13Br/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DGZQEAKNZXNTNL-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3016060</pubchem_compound_id>
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