N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide
fo-2f03c97ec0abbda0
Identity
- Type
- Neutral molecule
- CAS
- 12225-18-2
- EC
- 235-427-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
10- Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-[2,5-dimethoxy-4-[(phenylamino)sulfonyl]phenyl]diazenyl]-3-oxo-
- Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulfonyl]phenyl]azo]-3-oxo-
- C.I. Pigment Yellow 97
- Colanyl Yellow FGL 30
- Fast Yellow FGL
- N-(4-Chloro-2,5-dimethoxyphenyl)-2-[2-[2,5-dimethoxy-4-[(phenylamino)sulfonyl]phenyl]diazenyl]-3-oxobutanamide
- Novaperm Yellow FGL
- Novoperm Yellow FGL
- Permanent Yellow FGL
- Pigment Yellow 97
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | WNWZKKBGFYKSGA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C26H27ClN4O8S/c1-15(32)25(26(33)28-18-12-20(36-2)17(27)11-21(18)37-3)30-29-19-13-23(39-5)24(14-22(19)38-4)40(34,35)31-16-9-7-6-8-10-16/h6-14,25,31H,1-5H3,(H,28,33) |
| IUPAC name chemrof:IUPAC_name | N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide |
| Molecular formula chemrof:molecular_formula | C26H27ClN4O8S |
| Molecular mass chemrof:molecular_mass | 591.042 |
| Monoisotopic mass chemrof:monoisotopic_mass | 590.123813 |
| SMILES string chemrof:smiles_string | COc1cc(NC(=O)C(N=Nc2cc(OC)c(S(=O)(=O)Nc3ccccc3)cc2OC)C(C)=O)c(OC)cc1Cl |
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=12225-18-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.032.195 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9041736 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8ZNH60AHS0 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.088J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/61559 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126678032 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Pigment_Yellow_97 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d62263ef-f7a5-408a-be64-3a971d8a4387 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 0b71e144-618e-4205-9058-a9d261e8f641 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 5e8bad70-5473-43a8-a184-d1e5ee8b7c5f | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 249a6571-6e1f-4740-9921-8f0c1a02c582 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a21daddb-8450-40c6-a7c4-3cd3171ff6b8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| cfc76899-af71-4bd0-b629-d2aa771531cc | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 05163ef4-42fb-413e-8e9f-67fc12b667cc | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| c9a3a06a-d6f3-4fbf-beb5-67db12dfd372 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 846eb41c-b70e-4215-bdc8-d7b0b45b4e86 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b1ebdd15-31d0-42f4-a151-ffe206f8bf53 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 77a18e9e-aa6f-48eb-b7bb-8b60664a633d | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f2d2a528-1cb4-4424-a5cc-ae8153fc61ca | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8515cbe0-f628-4a47-add2-ac2c4fee3b05 | 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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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"235-427-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=235-427-3"
],
"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