Ammonium Bis(1-(3,5-dinitro-2-oxidophenylazo)-3-(n-phenylcarbamoyl)-2-naphtholato)chromate(1-)
fo-242eb7f1b09f6337
Identity
- Type
- Chemical salt
- CAS
- 109125-51-1
- EC
- 400-110-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
5- 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-hydroxy-3,5-dinitrophenyl)azo]-N-phenyl-, chromium complex
- Chromate(1-), bis[3-(hydroxy-κO)-4-[2-[2-(hydroxy-κO)-3,5-dinitrophenyl]diazenyl-κN1]-N-phenyl-2-naphthalenecarboxamidato(2-)]-, ammonium (1:1)
- Chromate(1-), bis[3-(hydroxy-κO)-4-[[2-(hydroxy-κO)-3,5-dinitrophenyl]azo-κN1]-N-phenyl-2-naphthalenecarboxamidato(2-)]-, ammonium
- Chromate(1-), bis[3-hydroxy-4-[(2-hydroxy-3,5-dinitrophenyl)azo]-N-phenyl-2-naphthalenecarboxamidato(2-)]-, ammonium
- DL-N 30B
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | RDDMCPMQDAUNRT-UHFFFAOYSA-K |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C23H15N5O7.Cr.H3N/c2*29-21-17(23(31)24-14-7-2-1-3-8-14)10-13-6-4-5-9-16(13)20(21)26-25-18-11-15(27(32)33)12-19(22(18)30)28(34)35;;/h2*1-12,29-30H,(H,24,31);;1H3/q;;+3;/p-3 |
| IUPAC name chemrof:IUPAC_name | ammonium;bis(3-[anilino(oxo)methyl]-1-(3,5-dinitro-2-oxidophenyl)azo-2-naphthalenolate);chromium(3+), ammonium;chromic;bis(1-(3,5-dinitro-2-oxido-phenyl)azo-3-(phenylcarbamoyl)naphthalen-2-olate), azanium;chromium(3+);bis(1-[(3,5-dinitro-2-oxidanidyl-phenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate), azanium;chromium(3+);bis(1-[(3,5-dinitro-2-oxidophenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate) |
| Molecular formula chemrof:molecular_formula | C46H30CrN11O14 |
| Molecular mass chemrof:molecular_mass | 1012.805 |
| Monoisotopic mass chemrof:monoisotopic_mass | 1012.137877 |
| SMILES string chemrof:smiles_string | C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2[O-])N=NC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])[O-].C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2[O-])N=NC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])[O-].[NH4+].[Cr+3] |
Known URLs
5Where 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=109125-51-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.216 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.127.221 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/138394490 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/156025076 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 415de6ac-1cb2-4879-8a0f-76d2addcae4d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 36d0069d-8490-45b2-a5ad-b6c2ef21a5bf | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 34003085-6e0e-4fcf-a1ff-0647d224320b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 378622bc-c57e-434a-a669-41ecb6ef3111 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| afd11f2b-f7c0-498f-bf4a-4c56af630c8e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 684f32df-85f3-4f7f-b7f7-846c8ea95127 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4c9ee246-f11f-4516-82b7-5ca025c9b15a | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4e37a257-247e-4b1d-9486-c609921a8cc6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 2a4fac30-705d-45b2-817e-1416df6583e4 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| baaf386c-56c9-4040-b0d0-7d6c0cff8bd0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1db24ede-bd17-46bb-9fa1-44a289e54f17 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 13b7f5ff-f0bc-415f-bdab-4a44761664a9 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4c8d9e7e-6237-4f20-bcff-f94b726389ad | 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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}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "13b7f5ff-f0bc-415f-bdab-4a44761664a9",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"109125-51-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=109125-51-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=109125-51-1"
}
],
"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": [
"400-110-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=400-110-2"
],
"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/ChemicalSalt"
]
}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