Consensus flow list

4,4'-methylenediphenyl Diisocyanate

fo-39b0a41bce57a1fc

Identity

Type
Neutral molecule
CAS
101-68-8
EC
202-966-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
109 across every transformer

Structure

Structure diagram for 4,4'-methylenediphenyl Diisocyanate

Alternative labels

77

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UPMLOUAZCHDJJD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
IUPAC name chemrof:IUPAC_name 4,4'-methylenediphenyl Diisocyanate, 1,1'-Methylenebis(4-isocyanatobenzene)
Molecular formula chemrof:molecular_formula C15H10N2O2
Molecular mass chemrof:molecular_mass 250.257
Monoisotopic mass chemrof:monoisotopic_mass 250.074228, 250.07423
SMILES string chemrof:smiles_string O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1

Known URLs

54

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=101-68-8 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25686-28-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27290-14-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=6143-90-4 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/NQ8EAB70.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53218 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.697 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.361 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0298 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7025180 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9596 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1488467 enrich_references.pubchem_identifier_url
gmelin gmelin:166464 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B0LO6BBS8C enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246605 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2929.10.80.10 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.231J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19453 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19453 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=58595 enrich_references.pubchem_identifier_url
patent patent:WO2010121997 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7570 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2206 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11927838 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1447476 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14531868 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17042142 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17336832 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18352975 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18418755 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18484168 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18787742 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19014769 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19191163 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19732394 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19757291 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20165612 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20933064 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21414210 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21878336 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21987383 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24572447 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26337647 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26690039 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26954368 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6296214 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6821040 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8093967 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8711735 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8960156 enrich_references.chebi_xrefs
reaxys reaxys:797662 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q417646 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diphenylmethane_diisocyanate enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Methylene_diphenyl_diisocyanate enrich_references.pubchem_identifier_url

Elementary flows

25
Flow Context Source Unit CFs
5187933e-c592-433e-8372-5020f2d35c77 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
864e3e99-b838-45e0-b15c-64db81326c0b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4badd7af-6bed-4545-aae1-ac408b700680 Environmental → Air → Indoor EF 3.1 kg 2
fda1aea9-64dc-4396-b4ba-e19bc296ec4f Environmental → Air → Long-term EF 3.1 kg 0
956b5637-0d27-449d-9150-2ba9aeebaf39 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2435d4d9-eeab-4de5-8a33-06acf884bb26 Environmental → Air → Unknown EF 3.1 kg 2
d9e4e93b-38a8-4a4e-ae2b-cde70818931c Environmental → Ground → Agricultural EF 3.1 kg 2
56ee4e6a-41fa-4944-a800-52bcc2ee8c73 Environmental → Ground → Non-agricultural EF 3.1 kg 2
84484c16-abfa-421e-a440-3b6e1b308253 Environmental → Ground → Unknown EF 3.1 kg 2
8355a18d-8258-4581-8221-8e3908fdc044 Environmental → Water → Long-term EF 3.1 kg 0
cf2227f4-5fae-4739-bca9-671dbe815c2a Environmental → Water → Ocean EF 3.1 kg 2
e0a62d00-63da-4d0c-a6b8-283ea084e0c1 Environmental → Water → Surface water EF 3.1 kg 2
5a16da03-0237-4ce2-8661-a84bc1effb99 Environmental → Water → Unknown EF 3.1 kg 2
f21411d7-6555-11dd-ad8b-0800200c9a66 deprecated Environmental → Air → Aircraft cruise height EF 3.1 kg 0
fe0acd60-3ddc-11dd-a627-0050c2490048 deprecated Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a626-0050c2490048 deprecated Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a628-0050c2490048 deprecated Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a625-0050c2490048 deprecated Environmental → Air → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a9cb-0050c2490048 deprecated Environmental → Ground → Agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-a62c-0050c2490048 deprecated Environmental → Ground → Non-agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-a624-0050c2490048 deprecated Environmental → Ground → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a62a-0050c2490048 deprecated Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a62d-0050c2490048 deprecated Environmental → Water → Ocean EF 3.1 kg 0
fe0acd60-3ddc-11dd-a629-0050c2490048 deprecated Environmental → Water → Surface water EF 3.1 kg 0
fe0acd60-3ddc-11dd-a62b-0050c2490048 deprecated Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (109 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-39b0a41bce57a1fc",
  "prefLabel": [
    {
      "@value": "4,4'-methylenediphenyl Diisocyanate",
      "@language": "en",
      "@lang": "en",
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    }
  ],
  "altLabel": [
    {
      "@value": "1,1'-Methylenebis(4-isocyanatobenzene)",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,1′-Methylenebis[4-isocyanatobenzene]",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Isocyanato-4-[(4-isocyanatophenyl)methyl]Benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4,4'-Diisocyanatodiphenylmethane",
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      }
    },
    {
      "@value": "4,4'-Diphenylmethane diisocyanate",
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      }
    },
    {
      "@value": "4,4'-methylene diphenyl diisocyanate",
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      }
    },
    {
      "@value": "4,4'-Methylenebis(phenyl isocyanate)",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "4,4'-Methylenedi(phenyl isocyanate)",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4,4'-Methylenedi-p-phenylene diisocyanate",
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      }
    },
    {
      "@value": "4,4'-Methylenediphenyl isocyanate",
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      }
    },
    {
      "@value": "4,4'-Methylenediphenylene diisocyanate",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4,4'-Methylenediphenylene isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4,4′-Bis(isocyanatophenyl)methane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Diisocyanatodiphenylmethane",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-68-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Diphenylmethane diisocyanate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-68-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-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": "4,4′-Methylenebis(isocyanatobenzene)",
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        ],
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      }
    },
    {
      "@value": "4,4′-Methylenebis(phenyl isocyanate)",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenebis(phenylisocyanate)",
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          "https://commonchemistry.cas.org/detail?cas_rn=101-68-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenedi(phenyl isocyanate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=101-68-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenedi-p-phenylene diisocyanate",
      "@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": "4,4′-Methylenediphenyl diisocyanate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenediphenylene isocyanate",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=101-68-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-4'-Diisocyanate de diphenylmethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_53218"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "8609E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:101-68-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-68-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Baydur 18BD 298",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-68-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,1′-methylenebis[4-isocyanato-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:101-68-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-68-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(1,4-isocyanatophenyl)methane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      "@value": "Bis(4-isocyanatophenyl)methane",
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      "@value": "Bis(isocyanatophenyl)methane",
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      "@value": "Bis(p-isocyanatophenyl)methane",
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      "@value": "Bis(para-isocyanatophenyl)methane",
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      "@value": "Di(4-isocyanatophenyl)methane",
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    },
    {
      "@value": "Diisocyanatodiphenylmethane",
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    {
      "@value": "Diphenyl methane diisocyanate",
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      "@value": "Diphenylmethan-4,4'-diisocyanat",
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    },
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      "@value": "Diphenylmethane 4,4′-diisocyanate",
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    },
    {
      "@value": "Diphenylmethane diisocyanate",
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    },
    {
      "@value": "Diphenylmethane-4,4'-diisocyanate",
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    },
    {
      "@value": "Diphenylmethyl diisocyanate",
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    },
    {
      "@value": "Diphenylmethylene 4,4′-diisocyanate",
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    },
    {
      "@value": "Diphenylmethylene diisocyanate",
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    },
    {
      "@value": "Isocyanic acid, diphenylmethylene ester",
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      "@value": "Isocyanic acid, methylenedi-p-phenylene ester",
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    {
      "@value": "MDI",
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      "@value": "MDR",
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    },
    {
      "@value": "Methylbis(4-phenylisocyanate)",
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      "@value": "Methylbisphenyl isocyanate",
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    },
    {
      "@value": "Methyldi-p-phenylene isocyanate",
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    {
      "@value": "Methylene bisphenyl isocyanate",
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      "@value": "Methylene di-p-phenylene isocyanate",
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      "@value": "Methylene diisocyanate",
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      "@value": "Methylene diphenyl diisocyanate",
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      "@value": "Methylenebis(4-isocyanatobenzene)",
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      "@value": "Methylenebis-p-phenylene diisocyanate",
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      "@value": "Methylenedi-p-phenylene diisocyanate",
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      "@value": "p,p'-Diphenylmethane diisocyanate",
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      "@value": "p,p′-Methylenebis(phenyl isocyanate)",
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      "@value": "p,p′-Methylenediphenyl diisocyanate",
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    {
      "@value": "para,para'-Diphenylmethane diisocyanate",
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      "@value": "Sumidur 44S92",
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