Consensus flow list

C.i. Direct Blue 15

fo-f813a365a461a64e

Identity

Type
Chemical salt
CAS
2429-74-5
EC
219-385-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for C.i. Direct Blue 15

Alternative labels

65

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OLSOUGWNONTDCK-GPTZEZBUSA-J
InChI2D string chemrof:inchi2d_string InChI=1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name Tetrasodium 3,3'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxynaphthalene-2,7-disulphonate)
Molecular formula chemrof:molecular_formula C34H24N6Na4O16S4, C34H24N6O16S4.4Na
Molecular mass chemrof:molecular_mass 992.82
Monoisotopic mass chemrof:monoisotopic_mass 991.97224
SMILES string chemrof:smiles_string COc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(OC)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+]

Known URLs

12

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=2429-74-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82305 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7020186 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5C44C6888V enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19213 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17059 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=006575 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12637962 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8207858 enrich_references.chebi_xrefs
reaxys reaxys:3660005 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q126614981 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27094452 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1f314b70-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-ae82-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
08cd4600-c30f-4467-85e3-f8f0e97e1aab Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-ae81-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ae83-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-ae80-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-a092-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-aede-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-a093-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-ae85-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aedf-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-ae84-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-ae86-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "Chrome Leather Pure Blue",
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      "@value": "CI Direct Blue 15",
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    {
      "@value": "Cresotine Pure Blue",
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    {
      "@value": "Diacotton Sky Blue 5B",
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    },
    {
      "@value": "Diamine Blue 6B",
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      "@value": "Diamine Sky Blue",
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    },
    {
      "@value": "Diaphtamine Pure Blue",
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    },
    {
      "@value": "Diazol Pure Blue 4B",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diphenyl Brilliant Blue",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Diphenyl Sky Blue 6B",
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        ],
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      }
    },
    {
      "@value": "Direct Blue 10G",
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    {
      "@value": "Direct Blue 15",
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    },
    {
      "@value": "Direct Blue FFN",
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    {
      "@value": "Direct Blue FFN-B 15",
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      "@value": "Direct Blue HH",
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    {
      "@value": "Direct Lake Blue 5B",
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    },
    {
      "@value": "Direct Pure Blue",
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    {
      "@value": "Direct Pure Blue M",
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      }
    },
    {
      "@value": "Direct Sky Blue",
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