Phenyl isocyanate

Benzene, isocyanato-
Carbanil
Isocyanatobenzene
Isocyanic acid, phenyl ester
Mondur P
Phenyl carbonimide
Phenylcarbimide
PhNCO
PI
PIC

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	DGTNSSLYPYDJGL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
IUPAC name chemrof:IUPAC_name	Phenyl isocyanate
Molecular formula chemrof:molecular_formula	C7H5NO
Molecular mass chemrof:molecular_mass	119.123
Monoisotopic mass chemrof:monoisotopic_mass	119.03711, 119.037114
SMILES string chemrof:smiles_string	O=C=Nc1ccccc1

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=103-71-9	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=27616-41-7	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53806	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.852	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1131	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5051521	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74454	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/196GO6BSOH	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0062270	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.018K	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=58768	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7672	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2487	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/12814266	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/21878336	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24446265	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25532938	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/28295200	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/2979745	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/7737433	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/8960156	enrich_references.chebi_xrefs
reaxys	reaxys:471391	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q408413	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Phenyl_isocyanate	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Phenylisocyanate	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
8d942434-535c-4ce0-92bc-fde830e8c4f5	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
80ca40c2-74f2-4446-8e14-b74f304648df	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
c42d155f-2f56-4e1a-bddf-379038a8a757	Environmental → Air → Indoor	EF 3.1	kg	4
03b08fce-7114-480b-9169-c3759f9e9414	Environmental → Air → Long-term	EF 3.1	kg	0
56995ffc-0869-445a-afd8-8e2724333108	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
94f6315f-66ea-44e9-9d70-adb808b57a29	Environmental → Air → Unknown	EF 3.1	kg	4
c433ae80-0b86-4f9f-a920-7cc21a2fd500	Environmental → Ground → Agricultural	EF 3.1	kg	4
26cf27eb-d6a4-4320-a45b-f8052db4f010	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
0f2d5ae1-6677-42d4-a0cb-9c1c3e2ce501	Environmental → Ground → Unknown	EF 3.1	kg	4
1669b24e-32db-4a55-b0f8-7681d4e3f3e2	Environmental → Water → Long-term	EF 3.1	kg	0
2ff54000-7f27-42ec-8c24-9093f8d42973	Environmental → Water → Ocean	EF 3.1	kg	4
d1ef8c03-791e-4c75-b913-7044912acf96	Environmental → Water → Surface water	EF 3.1	kg	4
36ac06d2-cb71-4157-82fe-a6b940c00f64	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (58 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-a6c63fd86479ac04",
  "prefLabel": [
    {
      "@value": "Phenyl isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:103-71-9",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzene, isocyanato-",
      "@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": "Carbanil",
      "@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_53806"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Isocyanatobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Isocyanic acid, phenyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Mondur P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Phenyl carbonimide",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Phenylcarbimide",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "PhNCO",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "PI",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "PIC",
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  "properties": {
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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Phenyl isocyanate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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