Isophthalonitrile
fo-882e54f63af04267
Identity
- Type
- Neutral molecule
- CAS
- 626-17-5
- EC
- 210-933-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
12- 1,3-Benzenedicarbonitrile
- 1,3-Benzodinitrile
- 1,3-Bis(cyano)benzene
- 1,3-Dicyanobenzene
- 3-Cyanobenzonitrile
- Benzene-1,3-dicarbonitrile
- IPN
- Isophthalodinitrile
- m-Benzenedinitrile
- m-Cyanobenzonitrile
- m-Dicyanobenzene
- Meta-dicyanobenzene
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LAQPNDIUHRHNCV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H |
| IUPAC name chemrof:IUPAC_name | Isophthalonitrile |
| Molecular formula chemrof:molecular_formula | C8H4N2 |
| Molecular mass chemrof:molecular_mass | 128.134 |
| Monoisotopic mass chemrof:monoisotopic_mass | 128.037448, 128.03745 |
| SMILES string chemrof:smiles_string | N#Cc1cccc(C#N)c1 |
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 |
|---|---|---|
| beilstein | beilstein:2038364 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=626-17-5 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/CZ1CFDE0.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38218 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.009.940 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1583 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7027259 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=87880 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182143 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7G36N0292W | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.092C | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55805 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12276 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3276 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q20966059 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Isophthalonitrile | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 66333ebe-3c0c-41a8-8ff8-28d32c84fa6a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| a85bda2e-33b9-4c5d-88f6-e5b0ce319959 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 8d0aaf21-6038-4f57-b680-82d36f6bb862 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| eb6cc88c-864a-4eb6-9edc-2f1bb8ac67fe | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5255bcc5-4c0a-4984-86f3-e820ff011edb | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 64c1090f-d104-4009-bbf7-a689344795e6 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| f3b5b1d4-f154-475a-b99d-3e10d483d278 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 85711b02-0206-457a-884e-b6bbcc80f3e6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ded431ea-d6d8-47b3-96c5-42122fdaad0a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6bfcd64f-10cb-4731-9110-01a89945502b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| db11441d-8474-4eba-9e4f-a69a5cadd07d | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| f8cd9e34-d67f-497d-910e-695905cf4cdc | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 83ca8a47-de08-4968-8508-ad87cffd5ead | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (59 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