<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 12:39:33 UTC</creation_date>
  <update_date>2026-08-25 01:36:41 UTC</update_date>
  <accession/>
  <common_name>Benzene, 1-isocyanato-2-methoxy-</common_name>
  <class>SmallMolecule</class>
  <description>Benzene, 1-isocyanato-2-methoxy- (C8H7N1O2) is an organic compound with an average molecular weight of 149.15 g/mol. Benzene, 1-isocyanato-2-methoxy- belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. This compound is categorized as a benzenoid. It has been identified in one recorded source: indoor air, dust, and atmospheric transport. The recorded route of exposure for this substance is inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-Isocyanato-2-methoxy-benzene</synonym>
    <synonym>1-Isocyanato-2-methoxybenzene</synonym>
    <synonym>2-Anisylisocyanate</synonym>
    <synonym>2-Isocyanatoanisole</synonym>
    <synonym>2-Isocyanatoanisole, 1-Isocyanato-2-methoxybenzene</synonym>
    <synonym>2-Isocyanatophenyl methyl ether</synonym>
    <synonym>2-METHOXY PHENYL ISOCYATE</synonym>
    <synonym>2-methoxybenzenisocyanate</synonym>
    <synonym>2-Methoxyphenyl Isocyanate</synonym>
    <synonym>2-Methoxyphenyl isocyanate 98%</synonym>
    <synonym>2-Methoxyphenylisocyanate</synonym>
    <synonym>3,7-dimethylthianthrene 5-oxide</synonym>
    <synonym>387700</synonym>
    <synonym>Benzene, 1-isocyanato-2-methoxy-</synonym>
    <synonym>Isocyanates, toxic, n.o.s. (1-isocyanato-2-methoxybenzene)</synonym>
    <synonym>Isocyanic Acid 2-Methoxyphenyl Ester</synonym>
    <synonym>Isocyanic Acid 2-Methoxyphenyl Ester\cf0\f1\fs17\par</synonym>
    <synonym>Isocyanic Acid, 2-Methoxyphenyl Ester</synonym>
    <synonym>o-Anisyl isocyanate</synonym>
    <synonym>o-Methoxyphenyl isocyanate</synonym>
    <synonym>TL8006607</synonym>
    <synonym>[700-87-8]</synonym>
    <synonym>\red0\green0\blue0</synonym>
    <synonym>\viewkind4\uc1\pard\cf1\f0\fs22 2-Isocyanatoanisole</synonym>
    <synonym>{\colortbl</synonym>
    <synonym>{\rtf1\ansi\ansicpg1250\deff0\deflang1029{\fonttbl{\f0\fnil Calibri</synonym>
    <synonym>}</synonym>
    <synonym>}{\f1\fnil\fcharset238 MS Sans Serif</synonym>
    <synonym>}}</synonym>
  </synonyms>
  <chemical_formula>C8H7N1O2</chemical_formula>
  <average_molecular_weight>149.149</average_molecular_weight>
  <monisotopic_moleculate_weight>149.047678</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>700-87-8</cas_registry_number>
  <smiles>COC1=C(C=CC=C1)N=C=O</smiles>
  <inchi>InChI=1S/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3</inchi>
  <inchikey>SUVCZZADQDCIEQ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <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>
    <property>
      <kind>logp</kind>
      <value>2.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>149.149</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>149.047678</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=C(C=CC=C1)N=C=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H7N1O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SUVCZZADQDCIEQ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb0156d80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>69695</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>62896</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <actor_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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  </targets>
</compound>
