Consensus flow list

Identity

Type
Neutral molecule
CAS
115-09-3
EC
204-064-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Methylmercury chloride

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BABMCXWQNSQAOC-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1
IUPAC name chemrof:IUPAC_name Methylmercury chloride
Molecular formula chemrof:molecular_formula CH3ClHg
Molecular mass chemrof:molecular_mass 251.078
Monoisotopic mass chemrof:monoisotopic_mass 251.96297, 251.962971
SMILES string chemrof:smiles_string [CH3][Hg][Cl]

Known URLs

12

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
beilstein beilstein:3600218 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=115-09-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28216 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.695 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=19998 enrich_references.pubchem_identifier_url
gmelin gmelin:1932 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/C11146 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11146 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/409301 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2025 enrich_references.pubchem_identifier_url
umbbd.compound umbbd.compound:c0092 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q21010649 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f1c9e84f-836c-421d-9557-9333c223d61a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
44cb875f-799c-4f84-abc5-48a6b9392bf8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f6bbe1b5-f42a-4498-b4f7-d224e6fc2ea6 Environmental → Air → Indoor EF 3.1 kg 2
0a51732e-5c2c-4ada-948b-7317240443e0 Environmental → Air → Long-term EF 3.1 kg 0
204fcd50-325d-4077-8980-f11fde71e733 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
55a8113c-23ca-4703-bc8d-53387cfc8484 Environmental → Air → Unknown EF 3.1 kg 2
5b646ae1-e9fe-40ba-a374-feee7d7eba65 Environmental → Ground → Agricultural EF 3.1 kg 2
c4c8841d-953f-41d3-a136-544646e7c2d6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4eecb906-5614-427d-b2a9-b8d79849f0d9 Environmental → Ground → Unknown EF 3.1 kg 2
4f329a9b-9749-40ca-9d4c-d018e2d1b898 Environmental → Water → Long-term EF 3.1 kg 0
2d702c11-f034-4a18-89b2-16799fd96de8 Environmental → Water → Ocean EF 3.1 kg 2
05e66cc4-690f-434b-859e-d72d9ccd00dc Environmental → Water → Surface water EF 3.1 kg 2
1b391561-3951-4127-a2d9-5aeb87c62f67 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-874b41813899255a",
  "prefLabel": [
    {
      "@value": "Methylmercury chloride",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
      "@value": "[HgClMe]",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Caspan",
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    },
    {
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    {
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    },
    {
      "@value": "Chloromethylmercury",
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    },
    {
      "@value": "Mercury, chloromethyl-",
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    {
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    "seed_uuid": "05e66cc4-690f-434b-859e-d72d9ccd00dc",
    "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": [
        "115-09-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=115-09-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=115-09-3"
        }
      ],
      "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": [
        "204-064-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-064-2"
      ],
      "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"
  ]
}

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