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2,6-dichlorobenzoyl Chloride

2D structure
Flow Object IDfo-cbd7e9c261c34614
TypeConsensus
prefLabel
Label Language
2,6-dichlorobenzoyl Chloride en
Alt Labels
Label Language Provenance
Benzoyl chloride, 2,6-dichloro- en —
CAS Numbers 4659-45-4
EC Numbers 225-102-4
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow2b9bf85e-3d5b-4dc5-91d9-b2ae61195ff4

Properties

Predicate Value
InChIKey JBLIDPPHFGWTKU-UHFFFAOYSA-N
InChI InChI=1S/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H
IUPAC name 2,6-bis(chloranyl)benzoyl chloride, 2,6-dichlorobenzoyl chloride
Molecular formula C7H3Cl3O
Molecular mass 209.459
Monoisotopic mass 207.924948
SMILES C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl, O=C(Cl)c1c(Cl)cccc1Cl

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
cb412ed7… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
3d37863e… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
6f6b1bf9… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
85e97bba… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
4f26f22f… EF 3.1 kg Environmental → Air → Unknown 2 2
bdeb94e8… EF 3.1 kg Environmental → Air → Unknown 2 2
ee1684fd… EF 3.1 kg Environmental → Ground → Agricultural 2 2
634ae6ee… EF 3.1 kg Environmental → Ground → Unknown 2 2
ba80572b… EF 3.1 kg Environmental → Water → Ocean 2 2
e662b267… EF 3.1 kg Environmental → Water → Surface water 2 2
2b9bf85e… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
2b9bf85e… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
2b9bf85e… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
3d37863e… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
3d37863e… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
4f26f22f… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
4f26f22f… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
5c12d99e… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
5c12d99e… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
634ae6ee… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
634ae6ee… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
6f6b1bf9… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
6f6b1bf9… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
85e97bba… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
85e97bba… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
a336a9e0… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
a336a9e0… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
ba80572b… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
ba80572b… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
bdeb94e8… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
bdeb94e8… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
cb412ed7… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
cb412ed7… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
e662b267… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
e662b267… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}
ee1684fd… altLabel — [{"@value":"Benzoyl chloride, 2,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:4659-45-4","https://commonchemistry.cas.org/detail?cas_rn=4659-45-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=4659-45-4; added Common Chemistry CAS names as altLabel: Benzoyl chloride, 2,6-dichloro-; object_uuid=fo-cbd7e9c261c34614
ee1684fd… cas_match_labels — {"4659-45-4":"exactMatch"} group_key=2,6-dichlorobenzoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4659-45-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cbd7e9c261c34614: {'4659-45-4': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-cbd7e9c261c34614",
  "prefLabel": [
    {
      "@value": "2,6-dichlorobenzoyl Chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzoyl chloride, 2,6-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "altLabel"
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H3Cl3O"
      ],
      "rdfs:label": "Molecular formula",
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          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl"
          ]
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl",
        "O=C(Cl)c1c(Cl)cccc1Cl"
      ],
      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
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    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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    }
  },
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