Consensus flow list

Disodium 5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxy-6-(methylamino)naphthalene-2-sulfonate

fo-0775af5e5fe6b119

Identity

Type
Chemical salt
CAS
70210-39-8
EC
274-436-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Disodium 5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxy-6-(methylamino)naphthalene-2-sulfonate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HNPZBDFFHBHBFR-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C20H17BrN4O8S2.2Na/c1-10(21)20(27)23-12-4-6-14(17(8-12)35(31,32)33)24-25-19-15(22-2)5-3-11-7-13(34(28,29)30)9-16(26)18(11)19;;/h3-9,22,26H,1H2,2H3,(H,23,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name Disodium 5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxy-6-(methylamino)naphthalene-2-sulfonate
Molecular formula chemrof:molecular_formula C20H15BrN4Na2O8S2
Molecular mass chemrof:molecular_mass 629.378
Monoisotopic mass chemrof:monoisotopic_mass 627.931006
SMILES string chemrof:smiles_string C=C(Br)C(=O)Nc1ccc(N=Nc2c(NC)ccc3cc(S(=O)(=O)[O-])cc(O)c23)c(S(=O)(=O)[O-])c1.[Na+].[Na+]

Known URLs

6

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=70210-39-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.067.648 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.110.443 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00890064 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/153111 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82869874 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d4ae2feb-3af6-43c2-8e48-1355619ab33d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8c2cda05-2cb3-4a04-a51e-6bfefbdbe5ab Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2c5607e9-996a-48db-bda7-edd28bf7643c Environmental → Air → Indoor EF 3.1 kg 2
9e8e1742-2657-4177-b74a-eaa7dc6eff69 Environmental → Air → Long-term EF 3.1 kg 0
25732fba-e4ef-4ae9-9e49-698964865373 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
79c008fa-d614-4592-b841-980c2805efd3 Environmental → Air → Unknown EF 3.1 kg 2
5b88a1b2-1f43-4d93-8205-b21db1aa90c8 Environmental → Ground → Agricultural EF 3.1 kg 2
04790b1a-43a4-4292-84cf-6a772f1dea2c Environmental → Ground → Non-agricultural EF 3.1 kg 2
603184d9-28b4-42f1-bddb-548c4081c2ec Environmental → Ground → Unknown EF 3.1 kg 2
18e56f0d-2ab1-4588-bbe4-1c927bf583e0 Environmental → Water → Long-term EF 3.1 kg 0
56826f89-9459-4534-9d21-0b6e2066cf8a Environmental → Water → Ocean EF 3.1 kg 2
4e78c9e8-a99a-4adb-86f0-552d0d703fa9 Environmental → Water → Surface water EF 3.1 kg 2
f227890c-f6d2-4d97-85e9-bf438bf85b82 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "2-Naphthalenesulfonic acid, 5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-6-(methylamino)-, sodium salt (1:2)",
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      "@value": "2-Naphthalenesulfonic acid, 5-[[4-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-6-(methylamino)-, disodium salt",
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