Consensus flow list

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

Structure diagram for Ammonium Bis(1-(3,5-dinitro-2-oxidophenylazo)-3-(n-phenylcarbamoyl)-2-naphtholato)chromate(1-)

Alternative labels

5

Properties

PropertyValue
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

5

Where 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)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-242eb7f1b09f6337",
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  ],
  "altLabel": [
    {
      "@value": "2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-hydroxy-3,5-dinitrophenyl)azo]-N-phenyl-, chromium complex",
      "@language": "en",
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    },
    {
      "@value": "Chromate(1-), bis[3-(hydroxy-κO)-4-[2-[2-(hydroxy-κO)-3,5-dinitrophenyl]diazenyl-κN1]-N-phenyl-2-naphthalenecarboxamidato(2-)]-, ammonium (1:1)",
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      "@value": "Chromate(1-), bis[3-hydroxy-4-[(2-hydroxy-3,5-dinitrophenyl)azo]-N-phenyl-2-naphthalenecarboxamidato(2-)]-, ammonium",
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      ],
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      }
    }
  },
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        "https://commonchemistry.cas.org/detail?cas_rn=109125-51-1"
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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