Consensus flow list

Identity

Type
NeutralMolecule
CAS
1966-58-1
EC
217-813-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3,4-dichlorobenzyl Methylcarbamate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DSVOTYIOPGIVPP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H9Cl2NO2/c1-12-9(13)14-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
IUPAC name chemrof:IUPAC_name 3,4-dichlorobenzyl Methylcarbamate
Molecular formula chemrof:molecular_formula C9H9Cl2NO2
Molecular mass chemrof:molecular_mass 234.082
Monoisotopic mass chemrof:monoisotopic_mass 233.001034
SMILES string chemrof:smiles_string CNC(=O)OCc1ccc(Cl)c(Cl)c1

Known URLs

7

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=1966-58-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.195 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5041853 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XDA707PJIO enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.832H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16072 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27293791 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fc0a361d-54ba-42e3-a8ec-4a517a7ce28c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe34aa47-291c-4d6c-bacd-03154359ee43 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
efe9adf9-eb0d-4c81-b4b5-dfaa00c58b90 Environmental → Air → Indoor EF 3.1 kg 2
01ef887e-371b-4166-ad1a-3158bf507662 Environmental → Air → Long-term EF 3.1 kg 0
4cd5e44b-95cb-4048-a18e-72de56ed13ac Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
daf37524-dbbb-4aff-91a7-d453bd1ca4d2 Environmental → Air → Unknown EF 3.1 kg 2
447e7417-f7ae-44a7-9279-e114bbe78bdb Environmental → Ground → Agricultural EF 3.1 kg 2
b6e85f84-94e3-4193-b4ab-0594a8982984 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8f2dd545-9873-4813-aa65-8e427f830fe3 Environmental → Ground → Unknown EF 3.1 kg 2
cc08c7e8-a950-4d08-acf3-c9817a0d5afc Environmental → Water → Long-term EF 3.1 kg 0
265fb10c-8607-4ad1-925b-fd60641d17ab Environmental → Water → Ocean EF 3.1 kg 2
a78cecd1-2c0c-47b0-9c3d-a86b7e53a671 Environmental → Water → Surface water EF 3.1 kg 2
f1a518eb-7b7a-45d2-a0d4-4189033b3d72 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-44578df3aa26a93a",
  "prefLabel": [
    {
      "@value": "3,4-dichlorobenzyl Methylcarbamate",
      "@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": "(3,4-Dichlorophenyl)methyl N-methylcarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1966-58-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1966-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Sirmate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1966-58-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1966-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanol, 3,4-dichloro-, 1-(N-methylcarbamate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanol, 3,4-dichloro-, methylcarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=1966-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, methyl-, 3,4-dichlorobenzyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "Dichlormate",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "N-Methylcarbamic acid 3,4-dichlorobenzyl ester",
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      "provenance": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    "https://w3id.org/chemrof/molecular_mass": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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  },
  "references": [
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}

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