1,5-Naphthalene diisocyanate
fo-dbce8aed6087cde4
Identity
- Type
- Neutral molecule
- CAS
- 3173-72-6
- EC
- 221-641-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
9- 1,5-diisocyanatonaphthalene
- 1,5-Naphthalenediol, diisocyanate
- 1,5-Naphthyl diisocyanate
- 1,5-Naphthylene diisocyanate
- 1,5-NDI
- Isocyanic acid, 1,5-naphthylene ester
- Naphthalene, 1,5-diisocyanato-
- Naphthalene-1,5-diyl diisocyanate
- NDI
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SBJCUZQNHOLYMD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H |
| IUPAC name chemrof:IUPAC_name | 1,5-diisocyanatonaphthalene |
| Molecular formula chemrof:molecular_formula | C12H6N2O2 |
| Molecular mass chemrof:molecular_mass | 210.192 |
| Monoisotopic mass chemrof:monoisotopic_mass | 210.042927, 210.04293 |
| SMILES string chemrof:smiles_string | O=C=Nc1cccc2c(N=C=O)cccc12 |
Known URLs
16Where 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=25551-28-4 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=3173-72-6 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/NQ927C00.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82496 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.019.675 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0653 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8040145 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=240728 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0ORB22ST7M | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0244232 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.091H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19464 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19464 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/18503 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2206 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q2786152 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0a364a16-c76f-432d-a64a-1f79129d72d8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 093fff79-0df9-4b07-ab83-8aed567d645c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 15355964-6ca1-49a6-9538-f044f7dc320b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 11e3039e-d751-4f45-89f9-9bf01d4f6ae8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d1553869-4cff-4c78-bba1-044f6cfdd4c2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 5778145c-3b73-4b0b-ad15-7ddc4112d932 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| af8d1729-9480-4084-8863-a70a4e55247e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 5c2a8dc0-c0cf-403a-b3c7-a23c096d4620 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 101cf7bb-7d9b-4cc4-a56b-8ad6828ed26f | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 3f46be46-5e1d-47dd-acf4-d7cb47b914f2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 19552b10-2dd7-4aad-ba24-a6ec0203a0ac | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fb2380d2-3d2f-4142-8594-09b3b9372e2b | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 28f1c95f-b677-42ca-9b27-db07a1a345a8 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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}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