Brightway Flows 1.0
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3,4-dichlorotoluene

fo-ee5c23b9f9ee2999

Identity

Type
Neutral molecule
CAS
95-75-0
EC
202-447-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,4-dichlorotoluene

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WYUIWKFIFOJVKW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 3,4-dichlorotoluene
Molecular formula chemrof:molecular_formula C7H6Cl2
Molecular mass chemrof:molecular_mass 161.031
Monoisotopic mass chemrof:monoisotopic_mass 159.984656
SMILES string chemrof:smiles_string Cc1ccc(Cl)c(Cl)c1

Known URLs

8

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=95-75-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.226 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021814 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8765 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL47525 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.570J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7256 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72468405 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a1136959-3c1f-444f-8b64-9688e3302a71 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3c3468aa-ee54-4c9f-89c8-cb04b315c943 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
49caa806-7513-462e-aae3-c5880955bafe Environmental → Air → Indoor EF 3.1 kg 2
1901afcc-260e-4e22-91f4-e310b2b49fb9 Environmental → Air → Long-term EF 3.1 kg 0
1273f410-70ec-46a4-9b6b-f753c16368af Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9ebe4e74-5464-43e9-9026-d377d77c1aa1 Environmental → Air → Unknown EF 3.1 kg 2
be7a6eaf-96c8-425e-a14f-42845b4cc097 Environmental → Ground → Agricultural EF 3.1 kg 2
618eb583-08c7-49f0-9190-e1cf9f8254eb Environmental → Ground → Non-agricultural EF 3.1 kg 2
c7522a6b-c68f-401d-90ad-d8aed2e48d4c Environmental → Ground → Unknown EF 3.1 kg 2
3d275e7d-1b39-4b45-b201-1c33f969e197 Environmental → Water → Long-term EF 3.1 kg 0
da83a5d2-08c2-4385-9f4f-4fc8d81a9184 Environmental → Water → Ocean EF 3.1 kg 2
592d64aa-6aee-4f0d-9284-71f1fd5b7dd4 Environmental → Water → Surface water EF 3.1 kg 2
cb52c996-aaff-40d7-9d4b-dbded54270b9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ee5c23b9f9ee2999",
  "prefLabel": [
    {
      "@value": "3,4-dichlorotoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Dichloro-4-methylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:95-75-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=95-75-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,2-dichloro-4-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:95-75-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=95-75-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Toluene, 3,4-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=95-75-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H6Cl2"
      ],
      "attested_by": {
        "C7H6Cl2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      ],
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        },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      "provenance": {
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1=CC(=C(C=C1)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1ccc(Cl)c(Cl)c1"
          ]
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      ],
      "attested_by": {
        "161.031": [
          "rdkit_post_consensus",
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
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          "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=J3.570J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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    {
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  ],
  "created_from": {
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    "seed_uuid": "1273f410-70ec-46a4-9b6b-f753c16368af",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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        "prov:wasAttributedTo": "brightway-flows",
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  ]
}

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