Consensus flow list

1,1'-methylenebis(2-isocyanatobenzene)

fo-0da3e68dfcd0c237

Identity

Type
NeutralMolecule
CAS
2536-05-2
EC
219-799-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1'-methylenebis(2-isocyanatobenzene)

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JIABEENURMZTTI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H10N2O2/c18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17-11-19/h1-8H,9H2
IUPAC name chemrof:IUPAC_name 1,1'-methylenebis(2-isocyanatobenzene)
Molecular formula chemrof:molecular_formula C15H10N2O2
Molecular mass chemrof:molecular_mass 250.257
Monoisotopic mass chemrof:monoisotopic_mass 250.074228
SMILES string chemrof:smiles_string O=C=Nc1ccccc1Cc1ccccc1N=C=O

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=2536-05-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.000 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90883107 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AS00FWT3DM enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245358 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J192.024C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62450 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27274092 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
73bdcdac-dfb7-4e6f-b2b4-e2ea253f83d4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a1957b35-eec7-40a7-bfda-0c8d48b4fc80 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3e7cc8b6-e8de-4362-8c9e-b50fd6922ecf Environmental → Air → Indoor EF 3.1 kg 2
3d6181f1-c122-407e-9ee4-ec73345a204d Environmental → Air → Long-term EF 3.1 kg 0
75785523-393e-450d-8c3d-7a109416ac3c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1728040d-67ce-4892-a69e-b5bf261682bc Environmental → Air → Unknown EF 3.1 kg 2
69964ec0-d596-4235-81a0-4e2221478abf Environmental → Ground → Agricultural EF 3.1 kg 2
4236ea0b-16df-42cc-b66e-8da999714ad1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
715de3b4-6c6d-4bab-9247-826c234fe829 Environmental → Ground → Unknown EF 3.1 kg 2
db9a0c36-8f79-4b93-8806-873ae548928e Environmental → Water → Long-term EF 3.1 kg 0
163c3d44-a5dc-4d02-8ab5-ea18d256da1b Environmental → Water → Ocean EF 3.1 kg 2
eb733222-3875-41d1-ae73-64ccf3e29074 Environmental → Water → Surface water EF 3.1 kg 2
453f5090-7334-45c4-a125-f4cdf18d79cc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-0da3e68dfcd0c237",
  "prefLabel": [
    {
      "@value": "1,1'-methylenebis(2-isocyanatobenzene)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-Methylenebis[2-isocyanatobenzene]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2536-05-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Isocyanato-2-[(2-isocyanatophenyl)methyl]benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Diisocyanatodiphenylmethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-MDI",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Methylenedi(phenyl isocyanate)",
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        ],
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      }
    },
    {
      "@value": "2,2′-Methylenediphenyl diisocyanate",
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      }
    },
    {
      "@value": "Benzene, 1,1′-methylenebis[2-isocyanato-",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Diphenylmethane-2,2′-diisocyanate",
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        ],
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      }
    },
    {
      "@value": "Isocyanic acid, methylenedi-o-phenylene ester",
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    },
    {
      "@value": "Methylenebis(2-phenyl isocyanate)",
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}

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