Toluene 2,4-diisocyanate

1,3-Diisocyanato-4-methylbenzene
2,4-diisocyanato-1-methylbenzene
2,4-Diisocyanatotoluene
2,4-TDI
2,4-Toluene diisocyanate
2,4-Toluylene diisocyanate
2,4-Tolylene diisocyanate
4-Methyl-1,3-Diisocyanatobenzene
4-Methyl-1,3-phenylene diisocyanate
4-methyl-m-phenylene Diisocyanate
4-Methyl-m-phenylene isocyanate
4-Methylbenzene-1,3-diyl diisocyanate
Benzene, 2,4-diisocyanato-1-methyl-
Isocyanic acid, 4-methyl-m-phenylene ester
MeSH ID: D014051
TDI T 100
toluene-2,4-diyl diisocyanate
Toluylene-2,4-diisocyanate
Tolylene-2,4-diisocyanate

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	DVKJHBMWWAPEIU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
IUPAC name chemrof:IUPAC_name	2,4-Diisocyanatotoluene
Molecular formula chemrof:molecular_formula	C9H6N2O2
Molecular mass chemrof:molecular_mass	174.159
Monoisotopic mass chemrof:monoisotopic_mass	174.042927, 174.04293
SMILES string chemrof:smiles_string	Cc1ccc(N=C=O)cc1N=C=O

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=26006-20-2	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=28574-89-2	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=584-84-9	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=6144-18-9	enrich_references.pubchem_identifier_url
cdc.gov	https://www.cdc.gov/niosh-rtecs/CZ602160.html	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53556	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.008.678	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0339	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7026156	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4791	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=56759	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1086446	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/17X7AFZ1GH	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0245470	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.302B	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=58653	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44457	enrich_references.pubchem_identifier_url
pharos.nih.gov	https://pharos.nih.gov/ligands/5D17JUJMW2B7	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11443	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2078	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/17042142	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/19647056	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/21725071	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/21878336	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22151392	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22206939	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22229538	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24572447	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24950844	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25042713	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/6296214	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/9811173	enrich_references.chebi_xrefs
reaxys	reaxys:744602	enrich_references.chebi_xrefs
wikidata.org	https://www.wikidata.org/wiki/Q415183	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Toluene_diisocyanate	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
595d5d33-4f15-417c-ba8a-aa552f17f93b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
6893e44d-66d9-41a3-9924-d7b7e0d12da3	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
3db81cb8-ef69-4981-98fe-aeadc62c3876	Environmental → Air → Indoor	EF 3.1	kg	4
08620d00-73d1-4174-94ed-676481db3614	Environmental → Air → Long-term	EF 3.1	kg	0
b34e38fe-39ab-4694-a161-88273d286857	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
991b43c9-9431-4e0f-a71c-4fdc8e026e0f	Environmental → Air → Unknown	EF 3.1	kg	4
439ce3c7-43d1-495b-9be4-bdfdee529351	Environmental → Ground → Agricultural	EF 3.1	kg	4
f3d96b1a-40c5-4fc8-b3fe-e4967cc109ef	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
d32cec2e-f4af-465c-8577-b563e15e1319	Environmental → Ground → Unknown	EF 3.1	kg	4
3a155698-8aca-47a6-b6cd-379e941007cf	Environmental → Water → Long-term	EF 3.1	kg	0
98f78369-6e5d-4c4d-bc6f-056759097390	Environmental → Water → Ocean	EF 3.1	kg	4
5def7a7a-6805-41d5-900b-1df3758d9cf7	Environmental → Water → Surface water	EF 3.1	kg	4
f33f6638-321f-485b-9226-42be2100c793	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (59 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-e74b0f043abc9856",
  "prefLabel": [
    {
      "@value": "Toluene 2,4-diisocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:584-84-9",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Diisocyanato-4-methylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:584-84-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-diisocyanato-1-methylbenzene",
      "@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_53556"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-Diisocyanatotoluene",
      "@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_53556"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-TDI",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_53556"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-Toluene diisocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_53556"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-Toluylene diisocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Tolylene diisocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_53556"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Methyl-1,3-Diisocyanatobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:584-84-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=584-84-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methyl-1,3-phenylene diisocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-methyl-m-phenylene Diisocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "4-Methyl-m-phenylene isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methylbenzene-1,3-diyl 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": "Benzene, 2,4-diisocyanato-1-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isocyanic acid, 4-methyl-m-phenylene ester",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MeSH ID: D014051",
      "@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": "TDI T 100",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "toluene-2,4-diyl diisocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_53556"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Toluylene-2,4-diisocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tolylene-2,4-diisocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_53556"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H6N2O2"
      ],
      "attested_by": {
        "C9H6N2O2": [
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    },
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      "@id": "https://w3id.org/chemrof/smiles_string",
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      "attested_by": {
        "Cc1ccc(N=C=O)cc1N=C=O": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3"
      ],
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        {
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      ],
      "attested_by": {
        "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DVKJHBMWWAPEIU-UHFFFAOYSA-N"
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
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          "prov:hadPrimarySource": [
            "Cc1ccc(N=C=O)cc1N=C=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
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Toluene 2,4-diisocyanate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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