Sodium 4-hydroxy-3,5-diiodophenylcyanide
fo-caaf33d7b208785d
Identity
- Type
- Molecular complex
- CAS
- 2961-62-8
- EC
- 220-995-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
6- 2,6-Diiodo-4-cyanophenol sodium salt
- 3,5-Diiodo-4-hydroxybenzonitrile sodium salt
- Benzonitrile, 4-hydroxy-3,5-diiodo-, sodium salt
- Benzonitrile, 4-hydroxy-3,5-diiodo-, sodium salt (1:1)
- Ioxynil sodium
- Sodium, (4-cyano-2,6-diiodophenoxy)-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GQOMRUQZQBMANH-UHFFFAOYSA-N, QGKPUZOFTJQTHL-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H3I2NO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H; |
| IUPAC name chemrof:IUPAC_name | Sodium 4-hydroxy-3,5-diiodophenylcyanide |
| Molecular formula chemrof:molecular_formula | C7H2I2NNaO, C7H3I2NNaO |
| SMILES string chemrof:smiles_string | N#Cc1cc(I)c(O)c(I)c1.[Na] |
Known URLs
7Where 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=2961-62-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.019.087 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0058354 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YJ5PH80ES6 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.043K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23666695 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27294544 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e1e67615-3675-4b8b-98c3-b9ad72a82992 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ce02aefa-7315-4142-abcf-d3e064fba53f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 5a3992ad-c9be-4c99-8013-b7099b6f0ea9 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| bc0dcdbd-ec52-4405-b0eb-86643bdb4afd | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| de614c9d-0d14-4877-98d2-2acaaae5e5b2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| a7e00c4b-8ce0-4632-9704-be941bfecbf2 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 6e2236c8-71e5-493a-8c3d-939843a55da2 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| adc15ef5-d49b-4a2a-9758-73f5619b5ee7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 2308f532fc3bbe98e60d809e38d328834d436c97 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| b6a59e41-2497-4a0a-bc9f-ff2c119226f7 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6792a644-a53b-445c-bbe9-dc25d126b81e | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 73aa0ae5-013f-49c6-9939-72550f65307c | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| e8bc53cf-5ba2-4120-8002-c3c3a5dc8fe3 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| d4ec8d4e-250a-4ef9-94a6-9527724be8d9 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-caaf33d7b208785d",
"prefLabel": [
{
"@value": "Sodium 4-hydroxy-3,5-diiodophenylcyanide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2,6-Diiodo-4-cyanophenol sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2961-62-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,5-Diiodo-4-hydroxybenzonitrile sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2961-62-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzonitrile, 4-hydroxy-3,5-diiodo-, sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2961-62-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzonitrile, 4-hydroxy-3,5-diiodo-, sodium salt (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2961-62-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ioxynil sodium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2961-62-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium, (4-cyano-2,6-diiodophenoxy)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:2961-62-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H2I2NNaO",
"C7H3I2NNaO"
],
"attested_by": {
"C7H2I2NNaO": [
"enrich_references.pubchem_semantic"
],
"C7H3I2NNaO": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:23666695"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"N#Cc1cc(I)c(O)c(I)c1.[Na]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GQOMRUQZQBMANH-UHFFFAOYSA-N",
"QGKPUZOFTJQTHL-UHFFFAOYSA-M"
],
"attested_by": {
"QGKPUZOFTJQTHL-UHFFFAOYSA-M": [
"enrich_references.pubchem_semantic"
],
"GQOMRUQZQBMANH-UHFFFAOYSA-N": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:23666695"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"N#Cc1cc(I)c(O)c(I)c1.[Na]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"N#Cc1cc(I)c(O)c(I)c1.[Na]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Sodium 4-hydroxy-3,5-diiodophenylcyanide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"N#Cc1cc(I)c(O)c(I)c1.[Na]"
]
}
],
"attested_by": {
"N#Cc1cc(I)c(O)c(I)c1.[Na]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C7H3I2NO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Sodium 4-hydroxy-3,5-diiodophenylcyanide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"N#Cc1cc(I)c(O)c(I)c1.[Na]"
]
}
],
"attested_by": {
"InChI=1S/C7H3I2NO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Sodium 4-hydroxy-3,5-diiodophenylcyanide"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Sodium 4-hydroxy-3,5-diiodophenylcyanide"
]
},
"attested_by": {
"Sodium 4-hydroxy-3,5-diiodophenylcyanide": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.043K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:23666695;CAS:2961-62-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2961-62-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.019.087",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:23666695;CAS:2961-62-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2961-62-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2961-62-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2961-62-8"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0058354",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:23666695;CAS:2961-62-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2961-62-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YJ5PH80ES6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:23666695;CAS:2961-62-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2961-62-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23666695",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:23666695;CAS:2961-62-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2961-62-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27294544",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:23666695;CAS:2961-62-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2961-62-8]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "5a3992ad-c9be-4c99-8013-b7099b6f0ea9",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_neutral",
"reason": "",
"types": [
"https://w3id.org/chemrof/MolecularComplex"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2961-62-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"220-995-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=220-995-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/MolecularComplex"
]
}
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