3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-{[2-(trifluoromethyl)phenyl]diazenyl}butanamide
fo-b3f5a8482b7de903
Identity
- Type
- Neutral molecule
- CAS
- 68134-22-5
- EC
- 268-734-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
14- Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-2-[2-[2-(trifluoromethyl)phenyl]diazenyl]-
- Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-2-[[2-(trifluoromethyl)phenyl]azo]-
- C.I. Pigment Yellow 154
- Chromofine Yellow 2080K2
- Colanyl Yellow SGX 131
- Hostaperm Yellow H 3G
- KET Yellow 402
- Lionogen Yellow 3G
- Lionol Yellow 3G
- N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-2-[2-[2-(trifluoromethyl)phenyl]diazenyl]butanamide
- Permanent Yellow H 3G
- Pigment Yellow 154
- Sanyo Pigment Yellow 2080
- Symuler Fast Yellow 4192
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | VBNVBMNKUIJLPP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H14F3N5O3/c1-9(27)15(26-25-12-5-3-2-4-11(12)18(19,20)21)16(28)22-10-6-7-13-14(8-10)24-17(29)23-13/h2-8,15H,1H3,(H,22,28)(H2,23,24,29) |
| IUPAC name chemrof:IUPAC_name | N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-2-[2-[2-(trifluoromethyl)phenyl]diazenyl]butanamide |
| Molecular formula chemrof:molecular_formula | C18H14F3N5O3 |
| Molecular mass chemrof:molecular_mass | 405.336 |
| Monoisotopic mass chemrof:monoisotopic_mass | 405.104874 |
| SMILES string chemrof:smiles_string | CC(=O)C(N=Nc1ccccc1C(F)(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 |
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=68134-22-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.062.467 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.111.560 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID50867488 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J334.062G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/109160 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q31887820 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d1e5433c-f6c7-4b02-8211-eace4be46fda | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 509fd36d-55bc-425b-b480-fdf77188201a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 3c6e93d8-4856-424f-9750-dc173739e354 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d4a727be-f8ba-4113-b837-239684b7ee16 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3e3f551c-eef2-4345-967b-42221b79f067 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 5d47ec5d-fdae-470d-b624-1488ab463f3c | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 785f3bd0-b09b-4cee-9980-2909af408897 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 16c2932a-bff1-49d8-b8bb-f6e0cd78c190 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 2b517592-4ec2-4e30-bc91-eb89a4af81fc | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 691dd8e1-a19c-4a9f-b443-592538d0e79b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 75ab7c81-2bdb-4d5a-aa50-b5e4c99324f0 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 02af85f8-409e-4f40-ac30-bbfb1e1d8941 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a7ea3a7b-7da0-405b-9fe7-7646322d86d5 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"seed_uuid": "02af85f8-409e-4f40-ac30-bbfb1e1d8941",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"68134-22-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=68134-22-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=68134-22-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"268-734-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=268-734-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"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/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