2-amino-5-chlorobenzonitrile

1-Cyano-2-amino-5-chlorobenzene
2-Amino-5-chlorobenzenecarbonitrile
2-Cyano-4-chloroaniline
4-Chloro-2-cyanoaniline
5-Chloro-2-aminobenzonitrile
5-Chloroanthranilonitrile
6-Amino-3-chlorobenzonitrile
Anthranilonitrile, 5-chloro-
Benzonitrile, 2-amino-5-chloro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QYRDWARBHMCOAG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
IUPAC name chemrof:IUPAC_name	2-amino-5-chlorobenzonitrile
Molecular formula chemrof:molecular_formula	C7H5ClN2
Molecular mass chemrof:molecular_mass	152.584
Monoisotopic mass chemrof:monoisotopic_mass	152.014126
SMILES string chemrof:smiles_string	N#Cc1cc(Cl)ccc1N

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=5922-60-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.025.137	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4022234	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GY0X0082QB	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J223.886A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/80019	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27279347	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c5e6ba30-7d90-4750-997f-6a9fbc54b398	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
2d3cbdab-b636-4cc9-be60-5eab11aa98ea	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
417d86ed-a989-4081-a73c-05730e2414e4	Environmental → Air → Indoor	EF 3.1	kg	2
618ea12c-4439-4261-9f1a-d5cd2e84f26d	Environmental → Air → Long-term	EF 3.1	kg	0
98612319-9a4c-4b99-b77f-ea3536c578e4	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4942b96a-2417-42ea-8a39-80c908f98571	Environmental → Air → Unknown	EF 3.1	kg	2
93702e3f-f2c5-4456-8d52-63c8fa235c20	Environmental → Ground → Agricultural	EF 3.1	kg	2
b236754d-02ea-42d1-b1ec-27e5e5570bc0	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
06c55994-2331-424b-8813-888838a45e84	Environmental → Ground → Unknown	EF 3.1	kg	2
c29ed707-c26d-400d-98a4-d7548742dd27	Environmental → Water → Long-term	EF 3.1	kg	0
5bd9797b-f787-44e9-981c-063f6a567520	Environmental → Water → Ocean	EF 3.1	kg	2
82ddc320-d21a-41e5-89c8-da87b49dad6d	Environmental → Water → Surface water	EF 3.1	kg	2
69de3bb7-2a95-47e7-9d60-0697ec7d55e6	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-0b72f01b4613a345",
  "prefLabel": [
    {
      "@value": "2-amino-5-chlorobenzonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Cyano-2-amino-5-chlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5922-60-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-5-chlorobenzenecarbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5922-60-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Cyano-4-chloroaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5922-60-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-2-cyanoaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5922-60-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Chloro-2-aminobenzonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5922-60-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Chloroanthranilonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5922-60-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Amino-3-chlorobenzonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5922-60-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anthranilonitrile, 5-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5922-60-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzonitrile, 2-amino-5-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5922-60-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H5ClN2"
      ],
      "attested_by": {
        "C7H5ClN2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:80019"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#Cc1cc(Cl)ccc1N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QYRDWARBHMCOAG-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "QYRDWARBHMCOAG-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:80019"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#Cc1cc(Cl)ccc1N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "N#Cc1cc(Cl)ccc1N"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-amino-5-chlorobenzonitrile"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#Cc1cc(Cl)ccc1N"
          ]
        }
      ],
      "attested_by": {
        "N#Cc1cc(Cl)ccc1N": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-amino-5-chlorobenzonitrile"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#Cc1cc(Cl)ccc1N"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-amino-5-chlorobenzonitrile"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-amino-5-chlorobenzonitrile"
        ]
      },
      "attested_by": {
        "2-amino-5-chlorobenzonitrile": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        152.584
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C=C1Cl)C#N)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#Cc1cc(Cl)ccc1N"
          ]
        }
      ],
      "attested_by": {
        "152.584": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        152.014126
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C=C1Cl)C#N)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#Cc1cc(Cl)ccc1N"
          ]
        }
      ],
      "attested_by": {
        "152.014126": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J223.886A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:80019;CAS:5922-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5922-60-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.025.137",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:80019;CAS:5922-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5922-60-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:80019;CAS:5922-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5922-60-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4022234",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:80019;CAS:5922-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5922-60-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GY0X0082QB",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:80019;CAS:5922-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5922-60-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/80019",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:80019;CAS:5922-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5922-60-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27279347",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:80019;CAS:5922-60-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5922-60-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "06c55994-2331-424b-8813-888838a45e84",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "5922-60-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5922-60-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "227-651-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=227-651-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

2-amino-5-chlorobenzonitrile

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard