Isocyanic Acid
fo-c22ccbf346ec6e6b
Identity
- Type
- Neutral molecule
- CAS
- 75-13-8
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 30 across every transformer
Structure
Alternative labels
10- [C(NH)O]
- HN=C=O
- HNCO
- hydrogen isocyanate
- ICA
- isocyanate
- Isocyanic acid (HNCO)
- isocyansaeure
- isozyansaeure
- oxidoazanediidocarbon
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | OWIKHYCFFJSOEH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/CHNO/c2-1-3/h2H |
| IUPAC name chemrof:IUPAC_name | Isocyanic Acid |
| Molecular formula chemrof:molecular_formula | CHNO |
| Molecular mass chemrof:molecular_mass | 43.025 |
| Monoisotopic mass chemrof:monoisotopic_mass | 43.00581, 43.005814 |
| SMILES string chemrof:smiles_string | N=C=O |
Known URLs
17Where 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=75-13-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29202 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.109.068 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9073884 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:840 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QKG6U31925 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0253627 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.226F | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54048 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6347 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19494520 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26124058 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26760716 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/977566 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1616281 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q25774 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Isocyanic_acid | enrich_references.pubchem_identifier_url |
Elementary flows
5| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| bcd37625-036a-4f76-8cb9-25c8c37262ee | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 45cfe2da-4750-44dd-8d7f-3f3fdfdfd5be | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| ac481eb2-e526-4785-9d42-7e0ae9df1097 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 355e7f7a-39c7-4cfc-874e-e6f250ec90d3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| ad9a0946-eca5-430f-9b08-7a159ae02854 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (30 changes)
Full record
Flow object JSON
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"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"75-13-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=75-13-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=75-13-8"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_29202"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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