Dimethyl 5-({2-oxo-1-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)isophthalate
fo-21bf16b8d7792c02
Identity
- Type
- Neutral molecule
- CAS
- 29920-31-8
- EC
- 249-955-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
11- 1,3-Benzenedicarboxylic acid, 5-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-, 1,3-dimethyl ester
- 1,3-Benzenedicarboxylic acid, 5-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-, dimethyl ester
- C.I. Pigment Yellow 120
- Hostaperm Yellow H 2G
- Ink Jet Yellow H 2G
- Isophthalic acid, 5-[[1-[(2-oxo-5-benzimidazolinyl)carbamoyl]acetonyl]azo]-, dimethyl ester
- Novoperm Yellow H 2G
- Permanent Yellow H 2G
- Pigment Yellow 120
- PV Fast Yellow H 2G
- Yellow H 2G
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IHRACTUONPFMSI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C21H19N5O7/c1-10(27)17(18(28)22-13-4-5-15-16(9-13)24-21(31)23-15)26-25-14-7-11(19(29)32-2)6-12(8-14)20(30)33-3/h4-9,17H,1-3H3,(H,22,28)(H2,23,24,31) |
| IUPAC name chemrof:IUPAC_name | Dimethyl 5-({2-oxo-1-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)isophthalate |
| Molecular formula chemrof:molecular_formula | C21H19N5O7 |
| Molecular mass chemrof:molecular_mass | 453.411 |
| Monoisotopic mass chemrof:monoisotopic_mass | 453.128448 |
| SMILES string chemrof:smiles_string | COC(=O)c1cc(N=NC(C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(C(=O)OC)c1 |
Known URLs
8Where 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=29920-31-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.045.399 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID40865519 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NI7H5NCD5F | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.086C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/121754 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126610308 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27284872 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| afe9f297-487d-4404-83de-ea3a69551165 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 39372811-1760-46e8-95a9-8a85cde3d652 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| feb0732d-c15f-409f-94f4-c4811bec2bfe | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 2aebefea-ce3a-4aa0-9ec1-8330ab1cec10 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 69f0a853-63f1-40ea-b768-2da81cca8bb6 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 87d64b67-140c-470d-9a35-e224867bc0a9 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 0d3ca0e9-0b3c-4c8f-99e6-42d477f16862 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 1c74c953-bce7-4d3f-b773-f35402c3ced4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 1d15e5f9-cf8b-4530-b7c6-8912a2abdef5 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d4be73c7-0cd8-42a5-9345-84cb342c9556 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3b89f1cf-d777-44b5-8d3e-4c864066df63 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 57e867ef-4121-41b9-a026-845383f032bb | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 7f1548cc-a58a-4d00-9c36-662ef687296f | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"29920-31-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=29920-31-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=29920-31-8"
}
],
"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": [
"249-955-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=249-955-7"
],
"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