Consensus flow list

Trisodium Bis[2-[[2,4-dihydroxy-3-[(2-methyl-4-sulphophenyl)azo]phenyl]azo]benzoato(3-)]chromate(3-)

fo-243177599a064341

Identity

Type
Chemical salt
CAS
75234-41-2
EC
278-145-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Trisodium Bis[2-[[2,4-dihydroxy-3-[(2-methyl-4-sulphophenyl)azo]phenyl]azo]benzoato(3-)]chromate(3-)

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PCFKCZXOHMDFQT-UHFFFAOYSA-H
InChI2D string chemrof:inchi2d_string InChI=1S/2C20H16N4O7S.Cr.3Na/c2*1-11-10-12(32(29,30)31)6-7-14(11)21-24-18-17(25)9-8-16(19(18)26)23-22-15-5-3-2-4-13(15)20(27)28;;;;/h2*2-10,25-26H,1H3,(H,27,28)(H,29,30,31);;;;/q;;+3;3*+1/p-6
IUPAC name chemrof:IUPAC_name chromic;trisodium;bis(2-[4-hydroxy-3-(2-methyl-4-sulfonato-phenyl)azo-2-oxido-phenyl]azobenzoate), chromic;trisodium;bis(4-[3-(2-carboxyphenyl)azo-2,6-dioxido-phenyl]azo-3-methyl-benzenesulfonate), chromic;trisodium;bis(4-[3-(2-carboxyphenyl)azo-2,6-dioxido-phenyl]azo-3-methyl-besylate), trisodium;bis(4-[3-(2-carboxyphenyl)azo-2,6-dioxidophenyl]azo-3-methylbenzenesulfonate);chromium(3+), trisodium;bis(4-[[3-[(2-carboxyphenyl)diazenyl]-2,6-bis(oxidanidyl)phenyl]diazenyl]-3-methyl-benzenesulfonate);chromium(3+), trisodium;bis(4-[[3-[(2-carboxyphenyl)diazenyl]-2,6-dioxidophenyl]diazenyl]-3-methylbenzenesulfonate);chromium(3+), trisodium;chromium(3+);bis(2-[4-hydroxy-3-(2-methyl-4-sulfonatophenyl)azo-2-oxidophenyl]azobenzoate), trisodium;chromium(3+);bis(2-[[3-[(2-methyl-4-sulfonato-phenyl)diazenyl]-2-oxidanidyl-4-oxidanyl-phenyl]diazenyl]benzoate), trisodium;chromium(3+);bis(2-[[4-hydroxy-3-[(2-methyl-4-sulfonatophenyl)diazenyl]-2-oxidophenyl]diazenyl]benzoate)
Molecular formula chemrof:molecular_formula C40H26CrN8Na3O14S2
Molecular mass chemrof:molecular_mass 1027.79
Monoisotopic mass chemrof:monoisotopic_mass 1027.010805
SMILES string chemrof:smiles_string CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=CC(=C2[O-])N=NC3=CC=CC=C3C(=O)O)[O-].CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=CC(=C2[O-])N=NC3=CC=CC=C3C(=O)O)[O-].[Na+].[Na+].[Na+].[Cr+3], CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=CC(=C2[O-])N=NC3=CC=CC=C3C(=O)[O-])O.CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=CC(=C2[O-])N=NC3=CC=CC=C3C(=O)[O-])O.[Na+].[Na+].[Na+].[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=75234-41-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.071.020 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901015231 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/154734718 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/165362653 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
c3802ae3-42a2-4bf2-8b76-76c33557ad5e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
dcf791d9-a0d4-441f-a48f-732714ef0b63 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
373cdc37-99a6-455a-8f7c-a6b60dd53f69 Environmental → Air → Indoor EF 3.1 kg 4
fc0e6955-44d0-4658-ab25-3a3efb14f854 Environmental → Air → Long-term EF 3.1 kg 0
4ac5874b-98d3-43f7-a1f5-2a07f5589b80 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a93429a4-d53e-4e24-89a6-41a14e4ee8d9 Environmental → Air → Unknown EF 3.1 kg 4
ec1d7968-f26e-4b90-b55e-29d3ddc602e3 Environmental → Ground → Agricultural EF 3.1 kg 4
7014c37e-8f1e-4671-abe3-bd69e82b7d5b Environmental → Ground → Non-agricultural EF 3.1 kg 4
a97558be-d023-44b7-a2f6-c0e140724071 Environmental → Ground → Unknown EF 3.1 kg 4
2c323063-14a2-48c7-aa99-4326e569cc1f Environmental → Water → Long-term EF 3.1 kg 0
e676c5b4-e322-44a4-93d7-ccf05c0093bb Environmental → Water → Ocean EF 3.1 kg 4
351f62f6-987e-4277-bbd0-584ed6c5a7c1 Environmental → Water → Surface water EF 3.1 kg 4
3f4045f8-117b-462d-9536-31dc76b5c8d6 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 
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